N-[(5-{[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-ethyl-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-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
N-[(5-{[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D583-0962 |
| Compound Name: | N-[(5-{[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide |
| Molecular Weight: | 483.63 |
| Molecular Formula: | C21 H30 F N5 O3 S2 |
| Smiles: | CCn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC(N1C(C)CCCC1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4164 |
| logD: | 2.4164 |
| logSw: | -2.6163 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.147 |
| InChI Key: | URSQMGKBFQJDSQ-UHFFFAOYSA-N |