N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]acetamide
Chemical Structure Depiction of
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]acetamide
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]acetamide
Compound characteristics
| Compound ID: | C036-0477 |
| Compound Name: | N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]acetamide |
| Molecular Weight: | 594.39 |
| Molecular Formula: | C19 H18 Br F6 N3 O3 S2 |
| Smiles: | C1CN(CCN(C1)S(c1ccc(s1)[Br])(=O)=O)CC(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.63 |
| logD: | 5.4753 |
| logSw: | -5.8096 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.989 |
| InChI Key: | QQFVFGXGLNOISM-UHFFFAOYSA-N |