ethyl 4-({[2-(4-chlorophenyl)azepane-1-carbonyl]amino}methyl)cyclohexane-1-carboxylate
Chemical Structure Depiction of
ethyl 4-({[2-(4-chlorophenyl)azepane-1-carbonyl]amino}methyl)cyclohexane-1-carboxylate
ethyl 4-({[2-(4-chlorophenyl)azepane-1-carbonyl]amino}methyl)cyclohexane-1-carboxylate
Compound characteristics
| Compound ID: | J007-1048 |
| Compound Name: | ethyl 4-({[2-(4-chlorophenyl)azepane-1-carbonyl]amino}methyl)cyclohexane-1-carboxylate |
| Molecular Weight: | 420.98 |
| Molecular Formula: | C23 H33 Cl N2 O3 |
| Smiles: | CCOC(C1CCC(CC1)CNC(N1CCCCCC1c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6408 |
| logD: | 5.6408 |
| logSw: | -6.1067 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.729 |
| InChI Key: | MTNUCNZIUNYVLJ-XTXLOEGASA-N |