3-cyclohexyl-5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(4-fluorophenyl)methanesulfonyl]pyrrolidin-3-yl}-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclohexyl-5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(4-fluorophenyl)methanesulfonyl]pyrrolidin-3-yl}-1H-1,2,4-triazole
3-cyclohexyl-5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(4-fluorophenyl)methanesulfonyl]pyrrolidin-3-yl}-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-1213 |
| Compound Name: | 3-cyclohexyl-5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(4-fluorophenyl)methanesulfonyl]pyrrolidin-3-yl}-1H-1,2,4-triazole |
| Molecular Weight: | 424.51 |
| Molecular Formula: | C20 H26 F2 N4 O2 S |
| Smiles: | C1CCC(CC1)c1nc([C@@H]2CN(C[C@H]2CF)S(Cc2ccc(cc2)F)(=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1041 |
| logD: | 3.1028 |
| logSw: | -3.2739 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.782 |
| InChI Key: | QRCNVXXDSWFXEK-SJLPKXTDSA-N |