5-[rel-(3R,4R)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0460 |
| Compound Name: | 5-[rel-(3R,4R)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C18 H20 F N5 O3 S |
| Smiles: | Cc1c(c(C)on1)S(N1C[C@@H](CF)[C@@H](C1)c1nc(c2ccccc2)n[nH]1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8603 |
| logD: | 1.8559 |
| logSw: | -2.5832 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.734 |
| InChI Key: | AFNMBUJZUBHRGZ-HUUCEWRRSA-N |