N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | D345-0775 |
| Compound Name: | N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide |
| Molecular Weight: | 485.42 |
| Molecular Formula: | C25 H29 Br N2 O3 |
| Smiles: | [H]N(CC(c1ccc(cc1)OC)N1CCCCCC1)C(c1c(C)c2cc(ccc2o1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7273 |
| logD: | 5.4902 |
| logSw: | -5.4987 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.042 |
| InChI Key: | NFIHBOXLQAQPCY-QFIPXVFZSA-N |