N-(4-fluorophenyl)-N-[(4-methyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-N-[(4-methyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
N-(4-fluorophenyl)-N-[(4-methyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
Compound characteristics
| Compound ID: | D532-0230 |
| Compound Name: | N-(4-fluorophenyl)-N-[(4-methyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C17 H22 F N5 O3 S2 |
| Smiles: | Cn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0247 |
| logD: | 1.0247 |
| logSw: | -2.2776 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.375 |
| InChI Key: | YGJNMJAYWMQSBR-UHFFFAOYSA-N |