{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}(3-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}(3-methylthiophen-2-yl)methanone
{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}(3-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | P930-5487 |
| Compound Name: | {(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}(3-methylthiophen-2-yl)methanone |
| Molecular Weight: | 356.42 |
| Molecular Formula: | C18 H17 F N4 O S |
| Smiles: | Cc1ccsc1C(N1CCC[C@H]1c1nnc(c2ccc(cc2)F)[nH]1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0466 |
| logD: | 3.011 |
| logSw: | -3.1392 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.478 |
| InChI Key: | WSBICNCCDMEYQA-AWEZNQCLSA-N |