5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole
5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-1229 |
| Compound Name: | 5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 318.39 |
| Molecular Formula: | C17 H23 F N4 O |
| Smiles: | Cc1cc(CN2C[C@@H](CF)[C@@H](C2)c2nc(C)n[nH]2)ccc1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0021 |
| logD: | -0.2938 |
| logSw: | -2.6268 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.232 |
| InChI Key: | RNNSNKPDICKMTO-GJZGRUSLSA-N |