AC1LY9EJ
2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-((3-(4-Methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide|2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide|2-((3-(4-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO(1)BENZOTHIENO(2,3-D) PYRIMIDIN-2-YL)SULFANYL)-N-(2-(TRIFLUOROMETHYL)PHENYL)ACETAMIDE|2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide|2-[3-(4-methoxyphenyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrim idin-2-ylthio)]-N-[2-(trifluoromethyl)phenyl]acetamide|2-{[3-(4-Methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D] pyrimidin-2-YL]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide|2-{[4-(4-methoxyphenyl)-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-(trifluoromethyl)phenyl]acetamide|650-766-0
| Molecular Formula | C26H22F3N3O3S2 |
|---|---|
| Molecular Weight | 545.10547 g/mol |
| LogP | 6.0842 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 545.10547 |
| Monoisotopic Mass | 545.10547 |
| Heavy Atoms | 37 |
| Complexity | 1528.5848 |
Chemical Identifiers
| CAS Number | 380577-17-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=CC=C4C(F)(F)F)SC5=C3CCCC5 |
Product Overview
AC1LY9EJ (CAS 380577-17-3), with molecular formula C26H22F3N3O3S2 and molecular weight 545.10547 g/mol. IUPAC: 2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.