2-{[7-acetyl-3-(3-chloro-4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[7-acetyl-3-(3-chloro-4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
2-{[7-acetyl-3-(3-chloro-4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C200-3676 |
| Compound Name: | 2-{[7-acetyl-3-(3-chloro-4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 583.13 |
| Molecular Formula: | C28 H27 Cl N4 O4 S2 |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2c(C(N1c1ccc(C)c(c1)[Cl])=O)c1CCN(Cc1s2)C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.131 |
| logD: | 5.131 |
| logSw: | -5.8908 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.384 |
| InChI Key: | IKQJXJQSQTZNDK-UHFFFAOYSA-N |