1-{(2S)-2-[5-(propan-2-yl)-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-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-2-(thiophen-3-yl)ethan-1-one
1-{(2S)-2-[5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | P930-2906 |
| Compound Name: | 1-{(2S)-2-[5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 304.41 |
| Molecular Formula: | C15 H20 N4 O S |
| Smiles: | CC(C)c1nnc([C@@H]2CCCN2C(Cc2ccsc2)=O)[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 1.6362 |
| logD: | 1.6341 |
| logSw: | -2.2594 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.222 |
| InChI Key: | BAWMAFCOYCXYKX-LBPRGKRZSA-N |