2-(4-methylphenyl)-1-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-methylphenyl)-1-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one
2-(4-methylphenyl)-1-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | P930-1190 |
| Compound Name: | 2-(4-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: | Cc1ccc(CC(N2CCC[C@H]2c2nnc(c3ccccc3)[nH]2)=O)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.1455 |
| logD: | 3.11 |
| logSw: | -3.1008 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.933 |
| InChI Key: | GFYZOCUWYLLYIV-SFHVURJKSA-N |