N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3-methylbenzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3-methylbenzamide--hydrogen chloride (1/1)
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3-methylbenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D388-0269 |
| Compound Name: | N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3-methylbenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 407.38 |
| Molecular Formula: | C22 H27 Cl N2 O |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1ccccc1[Cl])N1CCCCCC1)C(c1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8769 |
| logD: | 4.8061 |
| logSw: | -4.9089 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.9721 |
| InChI Key: | LRKCBFPBUHVCBQ-NRFANRHFSA-N |