N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M179-4501 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | CC1CC(C)CN(C1)c1cc(ncn1)SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1329 |
| logD: | 4.1328 |
| logSw: | -4.1763 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.508 |
| InChI Key: | TWIJMUFRURSBIH-UHFFFAOYSA-N |