(3,4-dimethylphenyl)[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
Chemical Structure Depiction of
(3,4-dimethylphenyl)[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
(3,4-dimethylphenyl)[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
Compound characteristics
| Compound ID: | SB29-1015 |
| Compound Name: | (3,4-dimethylphenyl)[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone |
| Molecular Weight: | 314.39 |
| Molecular Formula: | C17 H22 N4 O2 |
| Smiles: | Cc1ccc(cc1C)C(N1C[C@H](C[C@H]1c1nc(C)[nH]n1)OC)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.3339 |
| logD: | 2.3325 |
| logSw: | -2.7119 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.335 |
| InChI Key: | IIOPYMPVLXXDOI-CABCVRRESA-N |