5-[rel-(3R,4R)-1-(ethanesulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-1-(ethanesulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-1-(ethanesulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0425 |
| Compound Name: | 5-[rel-(3R,4R)-1-(ethanesulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole |
| Molecular Weight: | 338.4 |
| Molecular Formula: | C15 H19 F N4 O2 S |
| Smiles: | CCS(N1C[C@@H](CF)[C@@H](C1)c1nc(c2ccccc2)n[nH]1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8041 |
| logD: | 1.7997 |
| logSw: | -2.5242 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.861 |
| InChI Key: | JVMZZHWOSYCNRG-CHWSQXEVSA-N |