2-{[7-acetyl-3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[7-acetyl-3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
2-{[7-acetyl-3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C200-3938 |
| Compound Name: | 2-{[7-acetyl-3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide |
| Molecular Weight: | 552.65 |
| Molecular Formula: | C27 H25 F N4 O4 S2 |
| Smiles: | CCOc1ccc(cc1)N1C(=Nc2c(C1=O)c1CCN(Cc1s2)C(C)=O)SCC(Nc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6563 |
| logD: | 3.6562 |
| logSw: | -4.0154 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.687 |
| InChI Key: | NGICGEBKMGFZNU-UHFFFAOYSA-N |