N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide
Compound characteristics
Compound ID: | D388-0721 |
Compound Name: | N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide |
Molecular Weight: | 461.42 |
Molecular Formula: | C22 H25 Br N2 O2 S |
Smiles: | [H]N(CC(c1cccs1)N1CCCCCC1)C(c1c(C)c2cc(ccc2o1)[Br])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.392 |
logD: | 5.1244 |
logSw: | -5.3541 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 37.516 |
InChI Key: | VFGVKIRLQSRLRM-SFHVURJKSA-N |