N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-3,4,5-trimethoxybenzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-3,4,5-trimethoxybenzamide--hydrogen chloride (1/1)
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-3,4,5-trimethoxybenzamide--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | D388-0663 |
Compound Name: | N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-3,4,5-trimethoxybenzamide--hydrogen chloride (1/1) |
Molecular Weight: | 455.02 |
Molecular Formula: | C22 H30 N2 O4 S |
Salt: | HCl |
Smiles: | [H]N(CC(c1cccs1)N1CCCCCC1)C(c1cc(c(c(c1)OC)OC)OC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.3233 |
logD: | 3.1751 |
logSw: | -3.5872 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.968 |
InChI Key: | DQXBDAVGCFFOMF-KRWDZBQOSA-N |