3-(benzenesulfonyl)-1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one
Chemical Structure Depiction of
3-(benzenesulfonyl)-1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one
3-(benzenesulfonyl)-1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | SB34-0433 |
| Compound Name: | 3-(benzenesulfonyl)-1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C22 H23 F N4 O3 S |
| Smiles: | C(CS(c1ccccc1)(=O)=O)C(N1C[C@@H](CF)[C@@H](C1)c1nc(c2ccccc2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1121 |
| logD: | 2.1078 |
| logSw: | -2.8826 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.142 |
| InChI Key: | DNDPAUWWDGCHDA-IEBWSBKVSA-N |