(1,3-dimethyl-1H-pyrazol-4-yl)[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
Chemical Structure Depiction of
(1,3-dimethyl-1H-pyrazol-4-yl)[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
(1,3-dimethyl-1H-pyrazol-4-yl)[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
Compound characteristics
| Compound ID: | SB29-0550 |
| Compound Name: | (1,3-dimethyl-1H-pyrazol-4-yl)[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone |
| Molecular Weight: | 394.48 |
| Molecular Formula: | C21 H26 N6 O2 |
| Smiles: | Cc1cccc(CO[C@H]2C[C@@H](c3nc(C)[nH]n3)N(C2)C(c2cn(C)nc2C)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 2.0939 |
| logD: | 2.0925 |
| logSw: | -2.7727 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.181 |
| InChI Key: | DVOHPCAZOULTPU-MJGOQNOKSA-N |