1-[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(3,5-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(3,5-dimethoxyphenyl)ethan-1-one
1-[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(3,5-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB29-0216 |
| Compound Name: | 1-[(2S,4S)-4-(benzyloxy)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(3,5-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C24 H28 N4 O4 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2C(Cc2cc(cc(c2)OC)OC)=O)OCc2ccccc2)n[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 3.18 |
| logD: | 3.1786 |
| logSw: | -3.3509 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.579 |
| InChI Key: | OEIPPJZCZJDZBO-YADHBBJMSA-N |