N-[(2H-1,3-benzodioxol-5-yl)methyl]-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)methyl]-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)methyl]-2-[(6-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E140-0733 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(6-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C24 H24 N4 O4 S |
| Smiles: | C1CN(CC2=C1N=C(NC2=O)SCC(NCc1ccc2c(c1)OCO2)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1276 |
| logD: | 1.5782 |
| logSw: | -2.915 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.533 |
| InChI Key: | UVZSXXXQSRUXBW-UHFFFAOYSA-N |