ChemDiv3_012367
2-[[3-(3,5-dimethylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
Also Known As: ChemDiv3_012367|SR-01000909827-1|BRD-K17534436-001-01-6|F2014-0310|2-((3-(3,5-dimethylphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(4-fluorobenzyl)acetamide|2-[[3-(3,5-dimethylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide|2-{[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
| Molecular Formula | C23H22FN3O2S2 |
|---|---|
| Molecular Weight | 455.11374 g/mol |
| LogP | 4.04514 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.11374 |
| Monoisotopic Mass | 455.11374 |
| Heavy Atoms | 31 |
| Complexity | 1172.4114 |
Chemical Identifiers
| CAS Number | 877653-82-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)NCC4=CC=C(C=C4)F)C |
Product Overview
ChemDiv3_012367 (CAS 877653-82-2), with molecular formula C23H22FN3O2S2 and molecular weight 455.11374 g/mol. IUPAC: 2-[[3-(3,5-dimethylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide.