N-[(5-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
Chemical Structure Depiction of
N-[(5-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
N-[(5-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
Compound characteristics
| Compound ID: | D583-0684 |
| Compound Name: | N-[(5-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide |
| Molecular Weight: | 451.61 |
| Molecular Formula: | C20 H29 N5 O3 S2 |
| Smiles: | CC1CC(C)CN(C1)C(CSc1nnc(CN(c2ccccc2)S(C)(=O)=O)n1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0083 |
| logD: | 2.0083 |
| logSw: | -2.418 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.876 |
| InChI Key: | NESLDGGGZOJLOV-UHFFFAOYSA-N |