N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M459-3677 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | C1CN(CCC1Cc1ccccc1)c1ccnc(n1)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6231 |
| logD: | 5.6231 |
| logSw: | -5.8926 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.601 |
| InChI Key: | RLYGKXYENDREJE-UHFFFAOYSA-N |