2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)acetamide
2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)acetamide
Compound characteristics
Compound ID: | C036-0052 |
Compound Name: | 2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)acetamide |
Molecular Weight: | 482.39 |
Molecular Formula: | C20 H24 Br N3 O4 S |
Smiles: | COc1ccccc1NC(CN1CCCN(CC1)S(c1ccc(cc1)[Br])(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.5696 |
logD: | 3.5695 |
logSw: | -3.7775 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.903 |
InChI Key: | JZZXFSCTNOYCGA-UHFFFAOYSA-N |