2-[(6-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(6-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide
2-[(6-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | E140-0031 |
| Compound Name: | 2-[(6-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide |
| Molecular Weight: | 470.98 |
| Molecular Formula: | C23 H23 Cl N4 O3 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CSC1NC(C2CN(CCC=2N=1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0438 |
| logD: | 2.4944 |
| logSw: | -3.5348 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.726 |
| InChI Key: | JGJNEKLSSMJAJW-UHFFFAOYSA-N |