1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethan-1-one
Chemical Structure Depiction of
1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethan-1-one
1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | SB29-1023 |
| Compound Name: | 1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethan-1-one |
| Molecular Weight: | 346.38 |
| Molecular Formula: | C17 H22 N4 O4 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2C(COc2ccc(cc2)OC)=O)OC)n[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 1.2922 |
| logD: | 1.2908 |
| logSw: | -1.7725 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.851 |
| InChI Key: | ZGEOGWUHGOTQMR-CABCVRRESA-N |