2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide
Chemical Structure Depiction of
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide
Compound characteristics
| Compound ID: | Y041-7647 |
| Compound Name: | 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C22 H26 N4 O3 |
| Smiles: | C(CCc1nnc2ccccn12)CCNC(Cc1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0836 |
| logD: | 1.0836 |
| logSw: | -1.8536 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.02 |
| InChI Key: | PRGJKDXJTHGARU-UHFFFAOYSA-N |