{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}[1-(4-methylpiperidine-1-sulfonyl)piperidin-4-yl]methanone
Chemical Structure Depiction of
{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}[1-(4-methylpiperidine-1-sulfonyl)piperidin-4-yl]methanone
{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}[1-(4-methylpiperidine-1-sulfonyl)piperidin-4-yl]methanone
Compound characteristics
| Compound ID: | S517-1548 |
| Compound Name: | {4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}[1-(4-methylpiperidine-1-sulfonyl)piperidin-4-yl]methanone |
| Molecular Weight: | 528.72 |
| Molecular Formula: | C27 H40 N6 O3 S |
| Smiles: | CC1CCN(CC1)S(N1CCC(CC1)C(N1CCC(CC1)Cc1nncn1Cc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6455 |
| logD: | 2.6454 |
| logSw: | -2.9415 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.064 |
| InChI Key: | MMCSOSFDUSCJCM-UHFFFAOYSA-N |