3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-1-one
Chemical Structure Depiction of
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-1-one
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | SB29-0573 |
| Compound Name: | 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-1-one |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C23 H30 N6 O2 |
| Smiles: | Cc1cccc(CO[C@H]2C[C@@H](c3nc(C)[nH]n3)N(C2)C(CCn2c(C)cc(C)n2)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 2.2506 |
| logD: | 2.2489 |
| logSw: | -2.5701 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.477 |
| InChI Key: | YLUOQFSSMJLKIL-RTWAWAEBSA-N |