3-[2-oxo-2-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)ethyl]-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-[2-oxo-2-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)ethyl]-1,3-benzoxazol-2(3H)-one
3-[2-oxo-2-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)ethyl]-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | S564-0777 |
| Compound Name: | 3-[2-oxo-2-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)ethyl]-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C22 H22 N6 O3 |
| Smiles: | C1CN(CCC1Cc1nnc(c2ccncc2)[nH]1)C(CN1C(=O)Oc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6624 |
| logD: | 1.6391 |
| logSw: | -1.7469 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.392 |
| InChI Key: | BEEMCPPETZKUQS-UHFFFAOYSA-N |