2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide
2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C036-0038 |
| Compound Name: | 2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide |
| Molecular Weight: | 470.36 |
| Molecular Formula: | C19 H21 Br F N3 O3 S |
| Smiles: | C1CN(CCN(C1)S(c1ccc(cc1)[Br])(=O)=O)CC(Nc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9699 |
| logD: | 3.9696 |
| logSw: | -3.9573 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.97 |
| InChI Key: | OMAWFYSJSWXUGZ-UHFFFAOYSA-N |