N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-7-oxoazepane-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-7-oxoazepane-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-7-oxoazepane-2-carboxamide
Compound characteristics
| Compound ID: | S513-0631 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-7-oxoazepane-2-carboxamide |
| Molecular Weight: | 380.44 |
| Molecular Formula: | C22 H24 N2 O4 |
| Smiles: | C1CCC(N(Cc2ccccc2)C(C1)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6042 |
| logD: | 2.6042 |
| logSw: | -2.9626 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.508 |
| InChI Key: | MLDYPRQOXYOFJQ-SFHVURJKSA-N |