AC1Q46VD structure

AC1Q46VD

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

Also Known As: Oprea1_248171|SR-01000473930-1|F0857-0009|N-(3,4-dimethoxyphenethyl)-2-((4-oxo-3-phenyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide|N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide|N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-[(3,4,5,6,7,8-hexahydro-4-oxo-3-phenyl[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]acetamide|N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide|N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide|N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]acetamide|N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

CAS: 314260-79-2
Molecular Formula C28H29N3O4S2
Molecular Weight 535.16 g/mol
LogP 4.7942
Topological Polar Surface Area 82.45 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 9
Exact Mass 535.16
Monoisotopic Mass 535.16
Heavy Atoms 37
Complexity 1480.5566

Chemical Identifiers

CAS Number 314260-79-2
SMILES COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5)OC

Product Overview

AC1Q46VD (CAS 314260-79-2), with molecular formula C28H29N3O4S2 and molecular weight 535.16 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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