3-cyclopropyl-5-[rel-(3R,4R)-1-(ethanesulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclopropyl-5-[rel-(3R,4R)-1-(ethanesulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
3-cyclopropyl-5-[rel-(3R,4R)-1-(ethanesulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-1007 |
| Compound Name: | 3-cyclopropyl-5-[rel-(3R,4R)-1-(ethanesulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole |
| Molecular Weight: | 302.37 |
| Molecular Formula: | C12 H19 F N4 O2 S |
| Smiles: | CCS(N1C[C@@H](CF)[C@@H](C1)c1nc(C2CC2)n[nH]1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9081 |
| logD: | 0.9031 |
| logSw: | -2.1004 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.384 |
| InChI Key: | QUHOMUQYVOIXSH-NXEZZACHSA-N |