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-(3-chloro-4-methoxyphenyl)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-(3-chloro-4-methoxyphenyl)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-(3-chloro-4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C200-4001 |
| 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-(3-chloro-4-methoxyphenyl)acetamide |
| Molecular Weight: | 599.13 |
| Molecular Formula: | C28 H27 Cl N4 O5 S2 |
| Smiles: | CCOc1ccc(cc1)N1C(=Nc2c(C1=O)c1CCN(Cc1s2)C(C)=O)SCC(Nc1ccc(c(c1)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3868 |
| logD: | 4.3866 |
| logSw: | -4.8501 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.015 |
| InChI Key: | CKXKTJDMFMJGPF-UHFFFAOYSA-N |