2-{[3-(4-Chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno [2,3-D]pyrimidin-2-YL]sulfanyl}-N-(9-ethyl-9H-carbazol-3-YL)acetamide

HCID 3789232

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Basic information

CAS: 618432-43-2
Standard SMILES: CCn1c2ccccc2c2cc(NC(=O)CSc3nc4sc5c(c4c(=O)n3-c3ccc(Cl)cc3)CCC5)ccc21
InChIKey: HTPXWTHTCULFIS-UHFFFAOYSA-N
Molecular formula: C31H25ClN4O2S2
Average molar mass: 585.1 g/mol
Monoisotopic mass: 584.1107461

Names & identifiers

Preferred name: 2-{[3-(4-Chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno [2,3-D]pyrimidin-2-YL]sulfanyl}-N-(9-ethyl-9H-carbazol-3-YL)acetamide
IUPAC: 2-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide
English name: SALOR-INT L417297-1EA
Molecular formula: C31H25ClN4O2S2
Molecular weight: 585.14

Names & synonyms

618432-43-22-((3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA(4,5)THIENO (2,3-D)PYRIMIDIN-2-YL)SULFANYL)-N-(9-ETHYL-9H-CARBAZOL-3-YL)ACETAMIDE2-{[3-(4-Chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno [2,3-D]pyrimidin-2-YL]sulfanyl}-N-(9-ethyl-9H-carbazol-3-YL)acetamideRefChem:448064637-589-42-((3-(4-Chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(9-ethyl-9H-carbazol-3-yl)acetamideAKOS002192338ST500856892-[3-(4-chlorophenyl)-4-oxo(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5- b]thiophen-2-ylthio)]-N-(9-ethylcarbazol-3-yl)acetamide2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamideSALOR-INT L417297-1EA2-([3-(4-CHLOROPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL)-N-(9-ETHYL-9H-CARBAZOL-3-YL)ACETAMIDE

Database identifiers

CAS

Properties

Computed structural properties

XLogP: 7.3
Topological polar surface area: 120 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 40
Formal charge: 0
Complexity: 1,010

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 413 · H413-H315-H335-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H413-H315-H335-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Suppliers2 total

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

SIGMAALDRICH—

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