2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C036-0051 |
| Compound Name: | 2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 520.37 |
| Molecular Formula: | C20 H21 Br F3 N3 O3 S |
| Smiles: | C1CN(CCN(C1)S(c1ccc(cc1)[Br])(=O)=O)CC(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3321 |
| logD: | 4.3319 |
| logSw: | -4.2503 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.272 |
| InChI Key: | XSYFAXOAJXPIND-UHFFFAOYSA-N |