N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-7-oxoazepane-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-7-oxoazepane-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-7-oxoazepane-2-carboxamide
Compound characteristics
| Compound ID: | S515-0229 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-7-oxoazepane-2-carboxamide |
| Molecular Weight: | 304.34 |
| Molecular Formula: | C16 H20 N2 O4 |
| Smiles: | CC1(CCCCC(N1)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2678 |
| logD: | 1.2678 |
| logSw: | -2.0918 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.535 |
| InChI Key: | PQJPFILRSOLHMS-INIZCTEOSA-N |