N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-oxoazepane-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-oxoazepane-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-oxoazepane-2-carboxamide
Compound characteristics
| Compound ID: | S515-0090 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-oxoazepane-2-carboxamide |
| Molecular Weight: | 290.32 |
| Molecular Formula: | C15 H18 N2 O4 |
| Smiles: | C1CCC(NC(C1)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9625 |
| logD: | 0.9625 |
| logSw: | -1.9107 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.745 |
| InChI Key: | YETYTIBAQAQWIW-NSHDSACASA-N |