(2,5-dimethylfuran-3-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
(2,5-dimethylfuran-3-yl)[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
(2,5-dimethylfuran-3-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: | SB29-0524 |
| Compound Name: | (2,5-dimethylfuran-3-yl)[(2S,4S)-4-[(3-methylphenyl)methoxy]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C22 H26 N4 O3 |
| Smiles: | Cc1cccc(CO[C@H]2C[C@@H](c3nc(C)[nH]n3)N(C2)C(c2cc(C)oc2C)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 3.5615 |
| logD: | 3.5601 |
| logSw: | -3.7171 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.766 |
| InChI Key: | ZINVCCSCNDWYGU-QUCCMNQESA-N |