2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C036-0035 |
| Compound Name: | 2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-(2,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 512.42 |
| Molecular Formula: | C21 H26 Br N3 O5 S |
| Smiles: | COc1ccc(c(c1)OC)NC(CN1CCCN(CC1)S(c1ccc(cc1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5617 |
| logD: | 3.5615 |
| logSw: | -3.8032 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.447 |
| InChI Key: | BEQKINZCCOFXRZ-UHFFFAOYSA-N |