N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
Compound characteristics
| Compound ID: | S545-0077 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide |
| Molecular Weight: | 358.4 |
| Molecular Formula: | C18 H22 N4 O4 |
| Smiles: | Cc1nc(C2CCCCCN2C(Nc2ccc3c(c2)OCCO3)=O)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9932 |
| logD: | 1.9932 |
| logSw: | -2.6086 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.846 |
| InChI Key: | VGNJEXBHLUTSLM-AWEZNQCLSA-N |