N-(2H-1,3-benzodioxol-5-yl)-2-[(6-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(6-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(6-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E140-0709 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(6-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C23 H22 N4 O4 S |
| Smiles: | C1CN(CC2=C1N=C(NC2=O)SCC(Nc1ccc2c(c1)OCO2)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3663 |
| logD: | 1.8169 |
| logSw: | -2.9291 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.211 |
| InChI Key: | CEAXOTAMDCBACG-UHFFFAOYSA-N |