N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]-7-oxoazepane-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]-7-oxoazepane-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]-7-oxoazepane-2-carboxamide
Compound characteristics
| Compound ID: | S513-0502 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]-7-oxoazepane-2-carboxamide |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C23 H26 N2 O5 |
| Smiles: | COc1cccc(CN2C(CCCCC2=O)C(NCc2ccc3c(c2)OCO3)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6596 |
| logD: | 2.6596 |
| logSw: | -2.8776 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.052 |
| InChI Key: | UTPUVOXFOJCHJX-IBGZPJMESA-N |