{(2S)-2-[5-(oxan-4-yl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}(thiophen-3-yl)methanone
Chemical Structure Depiction of
{(2S)-2-[5-(oxan-4-yl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}(thiophen-3-yl)methanone
{(2S)-2-[5-(oxan-4-yl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}(thiophen-3-yl)methanone
Compound characteristics
| Compound ID: | CL9902-3113 |
| Compound Name: | {(2S)-2-[5-(oxan-4-yl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}(thiophen-3-yl)methanone |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C16 H20 N4 O2 S |
| Smiles: | C1C[C@@H](c2nnc(C3CCOCC3)[nH]2)N(C1)C(c1ccsc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.276 |
| logD: | 1.274 |
| logSw: | -2.1543 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.579 |
| InChI Key: | OUFGNGOTQVFVIL-ZDUSSCGKSA-N |