N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | Y042-5614 |
| Compound Name: | N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C18 H18 N4 O3 |
| Smiles: | C1COc2ccc(cc2OC1)C(NCCc1nnc2ccccn12)=O |
| Stereo: | ACHIRAL |
| logP: | 0.378 |
| logD: | 0.378 |
| logSw: | -1.7382 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.234 |
| InChI Key: | UPLVPKUUNJTXEF-UHFFFAOYSA-N |