N-{1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-1-(methanesulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-{1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-1-(methanesulfonyl)piperidine-4-carboxamide
N-{1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-1-(methanesulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | Y502-9298 |
| Compound Name: | N-{1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-1-(methanesulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 432.33 |
| Molecular Formula: | C16 H19 Cl2 N5 O3 S |
| Smiles: | CS(N1CCC(CC1)C(Nc1ncn(Cc2ccc(cc2[Cl])[Cl])n1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2419 |
| logD: | 2.2229 |
| logSw: | -3.2333 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.026 |
| InChI Key: | BOQIQDJFIXJTDW-UHFFFAOYSA-N |