N-(2-Methoxydibenzo(B,D)furan-3-YL)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5, 6,7,8-hexahydro(1)benzothieno(2,3-D)pyrimidin-2-YL)sulfanyl)acetamide

HCID 4516672

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Basic information

CAS: 476484-81-8
Standard SMILES: COc1ccc(-n2c(SCC(=O)Nc3cc4oc5ccccc5c4cc3OC)nc3sc4c(c3c2=O)CCCC4)cc1
InChIKey: UFYBYFDHBPJNML-UHFFFAOYSA-N
Molecular formula: C32H27N3O5S2
Average molar mass: 597.7 g/mol
Monoisotopic mass: 597.13921332

Names & identifiers

Preferred name: N-(2-Methoxydibenzo(B,D)furan-3-YL)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5, 6,7,8-hexahydro(1)benzothieno(2,3-D)pyrimidin-2-YL)sulfanyl)acetamide
IUPAC: N-(2-methoxydibenzofuran-3-yl)-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide

Names & synonyms

476484-81-8N-(2-Methoxydibenzo(B,D)furan-3-YL)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5, 6,7,8-hexahydro(1)benzothieno(2,3-D)pyrimidin-2-YL)sulfanyl)acetamideN-(2-METHOXYDIBENZO[B,D]FURAN-3-YL)-2-{[3-(4-METHOXYPHENYL)-4-OXO-3,4,5, 6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETAMIDERefChem:825537648-712-6N-(2-Methoxydibenzo[b,d]furan-3-yl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamideN-(2-methoxydibenzo[b,d]furan-3-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamideSTL410543AKOS002176100ST041150N-(2-methoxybenzo[3,4-b]benzo[d]furan-3-yl)-2-[3-(4-methoxyphenyl)-4-oxo(3,5,6 ,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide

Database identifiers

CAS: 476484-81-8
PubChem CID: 4516672
EC Number: 648-712-6

Properties

Computed structural properties

XLogP: 7.2
Topological polar surface area: 147 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 42
Formal charge: 0
Complexity: 1,040

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

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Related reactions

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Compound notes

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