methyl 4-({4-[(4-methylpiperidin-1-yl)methyl]azepane-1-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({4-[(4-methylpiperidin-1-yl)methyl]azepane-1-carbonyl}amino)benzoate
methyl 4-({4-[(4-methylpiperidin-1-yl)methyl]azepane-1-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | S535-0905 |
| Compound Name: | methyl 4-({4-[(4-methylpiperidin-1-yl)methyl]azepane-1-carbonyl}amino)benzoate |
| Molecular Weight: | 387.52 |
| Molecular Formula: | C22 H33 N3 O3 |
| Smiles: | CC1CCN(CC1)CC1CCCN(CC1)C(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7986 |
| logD: | 1.2471 |
| logSw: | -4.065 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.945 |
| InChI Key: | MJNOPBMVCGGRBO-GOSISDBHSA-N |