N-[(4-ethyl-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-ethyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
N-[(4-ethyl-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: | D580-0935 |
| Compound Name: | N-[(4-ethyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide |
| Molecular Weight: | 465.64 |
| Molecular Formula: | C21 H31 N5 O3 S2 |
| Smiles: | CCn1c(CN(c2ccc(C)cc2)S(C)(=O)=O)nnc1SCC(N1CCC(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5828 |
| logD: | 2.5828 |
| logSw: | -2.8437 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.924 |
| InChI Key: | QNILIXFSDZWXBW-UHFFFAOYSA-N |