N-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)azepane-1-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)azepane-1-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)azepane-1-carboxamide
Compound characteristics
| Compound ID: | J007-1032 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)azepane-1-carboxamide |
| Molecular Weight: | 344.43 |
| Molecular Formula: | C18 H20 N2 O3 S |
| Smiles: | C1CCC(c2cccs2)N(CC1)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9654 |
| logD: | 3.9654 |
| logSw: | -3.9318 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.595 |
| InChI Key: | ALVKTGUPMWFKNT-AWEZNQCLSA-N |