N-{[5-{[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-N-(4-fluorophenyl)methanesulfonamide
Chemical Structure Depiction of
N-{[5-{[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-N-(4-fluorophenyl)methanesulfonamide
N-{[5-{[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-N-(4-fluorophenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D583-1055 |
| Compound Name: | N-{[5-{[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-N-(4-fluorophenyl)methanesulfonamide |
| Molecular Weight: | 495.64 |
| Molecular Formula: | C22 H30 F N5 O3 S2 |
| Smiles: | CC1CCCC(C)N1C(CSc1nnc(CN(c2ccc(cc2)F)S(C)(=O)=O)n1CC=C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6282 |
| logD: | 2.6282 |
| logSw: | -2.9157 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.401 |
| InChI Key: | UCSZRZQSZLHXDW-UHFFFAOYSA-N |