1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-4-phenylbutan-1-one
Chemical Structure Depiction of
1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-4-phenylbutan-1-one
1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | SB29-1041 |
| Compound Name: | 1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-4-phenylbutan-1-one |
| Molecular Weight: | 328.41 |
| Molecular Formula: | C18 H24 N4 O2 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2C(CCCc2ccccc2)=O)OC)n[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 2.6113 |
| logD: | 2.6098 |
| logSw: | -2.8532 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.808 |
| InChI Key: | VTKUCKQWBHSAFZ-CVEARBPZSA-N |