N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-benzyl-7-oxoazepane-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-benzyl-7-oxoazepane-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-benzyl-7-oxoazepane-2-carboxamide
Compound characteristics
| Compound ID: | S515-0644 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-benzyl-7-oxoazepane-2-carboxamide |
| Molecular Weight: | 380.44 |
| Molecular Formula: | C22 H24 N2 O4 |
| Smiles: | C1CCC(Cc2ccccc2)(C(NCc2ccc3c(c2)OCO3)=O)NC(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6756 |
| logD: | 2.6756 |
| logSw: | -3.0867 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.87 |
| InChI Key: | BSBGJFQBZGDFDB-JOCHJYFZSA-N |