N-(2-Bromo-4-methylphenyl)-2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-YL]sulfanyl}acetamide
Basic information
- CAS
476484-24-9- Standard SMILES
Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(Br)cc2)CCCC4)c(Br)c1- InChIKey
FGFDGBWELHQWBX-UHFFFAOYSA-N- Molecular formula
- C25H21Br2N3O2S2
- Average molar mass
- 619.4 g/mol
- Monoisotopic mass
- 616.94419
Names & identifiers
- Preferred name
- N-(2-Bromo-4-methylphenyl)-2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-YL]sulfanyl}acetamide
- IUPAC
- N-(2-bromo-4-methylphenyl)-2-[[3-(4-bromophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
- English name
- SALOR-INT L225800-1EA
- Molecular formula
- C25H21Br2N3O2S2
- Molecular weight
- 619.39
Names & synonyms
476484-24-9N-(2-bromo-4-methylphenyl)-2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamideN-(2-BROMO-4-METHYLPHENYL)-2-((3-(4-BROMOPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO(1)BENZOTHIENO(2,3-D)PYRIMIDIN-2-YL)SULFANYL)ACETAMIDERefChem:825068648-732-5N-(2-Bromo-4-methylphenyl)-2-((3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamideSTK039397AKOS002172629ST50060069N-(2-bromo-4-methylphenyl)-2-[3-(4-bromophenyl)-4-oxo(3,5,6,7,8-pentahydrobenz o[b]thiopheno[2,3-d]pyrimidin-2-ylthio)]acetamideSALOR-INT L225800-1EAAcetamide, N-(2-bromo-4-methylphenyl)-2-[[3-(4-bromophenyl)-3,4,5,6,7,8-hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]-
Show more names
N-(2-BROMO-4-METHYLPHENYL)-2-([3-(4-BROMOPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL)ACETAMIDE
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 807
Physicochemical properties
- Density
- 1.72 · 1.72±0.1 g/cm3(Predicted)
- pka
- 12.26 · 12.26±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H413
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H413
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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