N-(1-benzylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]-7-oxoazepane-2-carboxamide
Chemical Structure Depiction of
N-(1-benzylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]-7-oxoazepane-2-carboxamide
N-(1-benzylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]-7-oxoazepane-2-carboxamide
Compound characteristics
| Compound ID: | S513-0426 |
| Compound Name: | N-(1-benzylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]-7-oxoazepane-2-carboxamide |
| Molecular Weight: | 449.59 |
| Molecular Formula: | C27 H35 N3 O3 |
| Smiles: | COc1cccc(CN2C(CCCCC2=O)C(NC2CCN(CC2)Cc2ccccc2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1965 |
| logD: | 1.6388 |
| logSw: | -3.4082 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.202 |
| InChI Key: | IPVJYWVLAPRHHK-VWLOTQADSA-N |