3-{(2S,4S)-1-cyclobutyl-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
3-{(2S,4S)-1-cyclobutyl-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
3-{(2S,4S)-1-cyclobutyl-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB29-0520 |
| Compound Name: | 3-{(2S,4S)-1-cyclobutyl-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 326.44 |
| Molecular Formula: | C19 H26 N4 O |
| Smiles: | Cc1cccc(CO[C@H]2C[C@@H](c3nc(C)[nH]n3)N(C2)C2CCC2)c1 |
| Stereo: | ABSOLUTE |
| logP: | 3.234 |
| logD: | 1.937 |
| logSw: | -3.1813 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.988 |
| InChI Key: | TWLRMKJLDOSPQZ-ZWKOTPCHSA-N |