3-{(2S,4S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
3-{(2S,4S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
3-{(2S,4S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB29-0557 |
| Compound Name: | 3-{(2S,4S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 380.49 |
| Molecular Formula: | C21 H28 N6 O |
| Smiles: | Cc1cccc(CO[C@H]2C[C@@H](c3nc(C)[nH]n3)N(Cc3cn(C)nc3C)C2)c1 |
| Stereo: | ABSOLUTE |
| logP: | 2.3539 |
| logD: | 0.6917 |
| logSw: | -2.577 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.431 |
| InChI Key: | ADSXIEXXRKNCKY-VQTJNVASSA-N |