6-bromo-N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
6-bromo-N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide--hydrogen chloride (1/1)
6-bromo-N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | D491-1988 |
Compound Name: | 6-bromo-N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide--hydrogen chloride (1/1) |
Molecular Weight: | 519.91 |
Molecular Formula: | C26 H31 Br N2 O2 |
Salt: | HCl |
Smiles: | [H]N(CC(c1ccc(cc1)C(C)(C)C)N1CCCC1)C(c1c(C)c2ccc(cc2o1)[Br])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.7085 |
logD: | 5.5519 |
logSw: | -5.719 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 36.533 |
InChI Key: | DBNWNROTAFEYAI-QFIPXVFZSA-N |