2-phenoxy-1-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-phenoxy-1-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one
2-phenoxy-1-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | P930-1243 |
| Compound Name: | 2-phenoxy-1-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 348.4 |
| Molecular Formula: | C20 H20 N4 O2 |
| Smiles: | C1C[C@@H](c2nnc(c3ccccc3)[nH]2)N(C1)C(COc1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.4068 |
| logD: | 2.3712 |
| logSw: | -2.6486 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.432 |
| InChI Key: | QPTQIUSMQIEGDO-KRWDZBQOSA-N |