1-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(thiophen-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(thiophen-3-yl)ethan-1-one
1-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | P930-1222 |
| Compound Name: | 1-[(2S)-2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 338.43 |
| Molecular Formula: | C18 H18 N4 O S |
| Smiles: | C1C[C@@H](c2nnc(c3ccccc3)[nH]2)N(C1)C(Cc1ccsc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.4736 |
| logD: | 2.4381 |
| logSw: | -2.6799 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.951 |
| InChI Key: | SIBMOXPYBIMKBD-HNNXBMFYSA-N |