AC1LXQUE
2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
Also Known As: 2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide|2-((3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide|2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide|2-[3-(4-chlorophenyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)]-N-(6-ethyl-2-methylphenyl)acetamide|2-{[4-(4-chlorophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide
| Molecular Formula | C27H26ClN3O2S2 |
|---|---|
| Molecular Weight | 523.1155 g/mol |
| LogP | 6.58102 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 523.1155 |
| Monoisotopic Mass | 523.1155 |
| Heavy Atoms | 35 |
| Complexity | 1474.8008 |
Chemical Identifiers
| CAS Number | 499102-75-9 |
|---|---|
| SMILES | CCC1=CC=CC(=C1NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Cl)C |
Product Overview
AC1LXQUE (CAS 499102-75-9), with molecular formula C27H26ClN3O2S2 and molecular weight 523.1155 g/mol. IUPAC: 2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide.