N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3-methylbutanamide--acetic acid (1/1)
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3-methylbutanamide--acetic acid (1/1)
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3-methylbutanamide--acetic acid (1/1)
Compound characteristics
| Compound ID: | D388-0312 |
| Compound Name: | N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3-methylbutanamide--acetic acid (1/1) |
| Molecular Weight: | 396.96 |
| Molecular Formula: | C19 H29 Cl N2 O |
| Salt: | CH3COOH |
| Smiles: | [H]N(CC(c1ccccc1[Cl])N1CCCCCC1)C(CC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1587 |
| logD: | 3.8531 |
| logSw: | -4.2289 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.0302 |
| InChI Key: | FUHNXFAVYLKWQY-SFHVURJKSA-N |