3-cyclopropyl-5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(4-methylphenyl)methanesulfonyl]pyrrolidin-3-yl}-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclopropyl-5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(4-methylphenyl)methanesulfonyl]pyrrolidin-3-yl}-1H-1,2,4-triazole
3-cyclopropyl-5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(4-methylphenyl)methanesulfonyl]pyrrolidin-3-yl}-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0138 |
| Compound Name: | 3-cyclopropyl-5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(4-methylphenyl)methanesulfonyl]pyrrolidin-3-yl}-1H-1,2,4-triazole |
| Molecular Weight: | 378.47 |
| Molecular Formula: | C18 H23 F N4 O2 S |
| Smiles: | Cc1ccc(CS(N2C[C@@H](CF)[C@@H](C2)c2nc(C3CC3)n[nH]2)(=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2958 |
| logD: | 2.2908 |
| logSw: | -2.8858 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.113 |
| InChI Key: | YQVPXFRSHXMSFQ-HZPDHXFCSA-N |