2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]acetamide
Chemical Structure Depiction of
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]acetamide
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | Y042-5620 |
| Compound Name: | 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C18 H18 N4 O3 |
| Smiles: | C1COc2ccc(CC(NCc3nnc4ccccn34)=O)cc2OC1 |
| Stereo: | ACHIRAL |
| logP: | 0.4092 |
| logD: | 0.4092 |
| logSw: | -1.7016 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.179 |
| InChI Key: | PHPOSERDUYFHDQ-UHFFFAOYSA-N |