{(2S)-2-[5-(oxan-4-yl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}(pyridin-3-yl)methanone
Chemical Structure Depiction of
{(2S)-2-[5-(oxan-4-yl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}(pyridin-3-yl)methanone
{(2S)-2-[5-(oxan-4-yl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}(pyridin-3-yl)methanone
Compound characteristics
| Compound ID: | CL9902-2558 |
| Compound Name: | {(2S)-2-[5-(oxan-4-yl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}(pyridin-3-yl)methanone |
| Molecular Weight: | 327.38 |
| Molecular Formula: | C17 H21 N5 O2 |
| Smiles: | C1C[C@@H](c2nnc(C3CCOCC3)[nH]2)N(C1)C(c1cccnc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.1689 |
| logD: | 0.1669 |
| logSw: | -0.7696 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.078 |
| InChI Key: | NOKRHERMSZHYJQ-AWEZNQCLSA-N |