N-(4-fluorophenyl)-N-[(4-methyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-N-[(4-methyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
N-(4-fluorophenyl)-N-[(4-methyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
Compound characteristics
| Compound ID: | D580-0510 |
| Compound Name: | N-(4-fluorophenyl)-N-[(4-methyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide |
| Molecular Weight: | 455.57 |
| Molecular Formula: | C19 H26 F N5 O3 S2 |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(CN(c2ccc(cc2)F)S(C)(=O)=O)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.574 |
| logD: | 1.574 |
| logSw: | -2.3411 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.009 |
| InChI Key: | BZBCWEPGNRXINP-UHFFFAOYSA-N |