2-phenoxy-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-phenoxy-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)ethan-1-one
2-phenoxy-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S564-0761 |
| Compound Name: | 2-phenoxy-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C21 H23 N5 O2 |
| Smiles: | C1CN(CCC1Cc1nnc(c2ccncc2)[nH]1)C(COc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9842 |
| logD: | 1.9608 |
| logSw: | -1.8152 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.791 |
| InChI Key: | UAHZLQRFQCMVCF-UHFFFAOYSA-N |