1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)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-(3-methoxyphenyl)ethan-1-one
1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB29-0131 |
| Compound Name: | 1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 330.38 |
| Molecular Formula: | C17 H22 N4 O3 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2C(Cc2cccc(c2)OC)=O)OC)n[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 1.6976 |
| logD: | 1.6962 |
| logSw: | -1.9378 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.352 |
| InChI Key: | LBLRYVXNPIRXIR-CABCVRRESA-N |