N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]acetamide
Chemical Structure Depiction of
N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]acetamide
N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]acetamide
Compound characteristics
| Compound ID: | C036-0047 |
| Compound Name: | N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]acetamide |
| Molecular Weight: | 539.45 |
| Molecular Formula: | C22 H27 Br N4 O5 S |
| Smiles: | CC(Nc1ccc(c(c1)NC(CN1CCCN(CC1)S(c1ccc(cc1)[Br])(=O)=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.773 |
| logD: | 2.773 |
| logSw: | -3.2975 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.165 |
| InChI Key: | UULQLQYBEVVXDU-UHFFFAOYSA-N |