N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide--hydrogen chloride (1/1)
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | D388-0684 |
Compound Name: | N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide--hydrogen chloride (1/1) |
Molecular Weight: | 423.02 |
Molecular Formula: | C22 H30 N2 O2 S |
Salt: | HCl |
Smiles: | [H]N(CC(c1cccs1)N1CCCCCC1)C(COc1ccc(C)c(C)c1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.3756 |
logD: | 3.8262 |
logSw: | -4.1637 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 36.276 |
InChI Key: | DKFLBNPPFWRFTL-FQEVSTJZSA-N |