2-(2-methylphenyl)-1-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(2-methylphenyl)-1-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one
2-(2-methylphenyl)-1-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | P930-1246 |
| Compound Name: | 2-(2-methylphenyl)-1-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 346.43 |
| Molecular Formula: | C21 H22 N4 O |
| Smiles: | Cc1ccccc1CC(N1CCC[C@H]1c1nnc(c2ccccc2)[nH]1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.479 |
| logD: | 3.4435 |
| logSw: | -3.4191 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.933 |
| InChI Key: | SDVQAIIMOJILGB-SFHVURJKSA-N |