N-(4-fluorophenyl)-N-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-N-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
N-(4-fluorophenyl)-N-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
Compound characteristics
| Compound ID: | D532-0503 |
| Compound Name: | N-(4-fluorophenyl)-N-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C22 H24 F N5 O3 S2 |
| Smiles: | CS(N(Cc1nnc(n1c1ccccc1)SCC(N1CCCC1)=O)c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3632 |
| logD: | 2.3632 |
| logSw: | -2.6211 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.036 |
| InChI Key: | NOBMJKXWPRDFHE-UHFFFAOYSA-N |