2-{[7-acetyl-3-(3-chloro-4-fluorophenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[7-acetyl-3-(3-chloro-4-fluorophenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
2-{[7-acetyl-3-(3-chloro-4-fluorophenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C200-3836 |
| Compound Name: | 2-{[7-acetyl-3-(3-chloro-4-fluorophenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 603.09 |
| Molecular Formula: | C27 H24 Cl F N4 O5 S2 |
| Smiles: | CC(N1CCc2c3C(N(C(=Nc3sc2C1)SCC(Nc1ccc(c(c1)OC)OC)=O)c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6369 |
| logD: | 3.6369 |
| logSw: | -4.4462 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.522 |
| InChI Key: | BFYPWFRELUUAML-UHFFFAOYSA-N |