N-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)azepane-1-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)azepane-1-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)azepane-1-carboxamide
Compound characteristics
| Compound ID: | J007-1030 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)azepane-1-carboxamide |
| Molecular Weight: | 372.85 |
| Molecular Formula: | C20 H21 Cl N2 O3 |
| Smiles: | C1CCC(c2ccc(cc2)[Cl])N(CC1)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.913 |
| logD: | 4.913 |
| logSw: | -5.2108 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.576 |
| InChI Key: | SFFNAOKIAWMBCT-KRWDZBQOSA-N |