N-[(4-methyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Chemical Structure Depiction of
N-[(4-methyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
N-[(4-methyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D580-1020 |
| Compound Name: | N-[(4-methyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide |
| Molecular Weight: | 451.61 |
| Molecular Formula: | C20 H29 N5 O3 S2 |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(CN(c2ccc(C)cc2)S(C)(=O)=O)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9683 |
| logD: | 1.9683 |
| logSw: | -2.4764 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.009 |
| InChI Key: | OMKFQZBCCIBZMX-UHFFFAOYSA-N |