2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(4-ethylphenyl)acetamide
Chemical Structure Depiction of
2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(4-ethylphenyl)acetamide
2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(4-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | E140-0598 |
| Compound Name: | 2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(4-ethylphenyl)acetamide |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C25 H26 N4 O4 S |
| Smiles: | CCc1ccc(cc1)NC(CSC1NC(C2CN(CCC=2N=1)Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.335 |
| logD: | 2.7856 |
| logSw: | -3.5307 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.211 |
| InChI Key: | OTFJEHCTFTYCEF-UHFFFAOYSA-N |