2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C036-1009 |
| Compound Name: | 2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide |
| Molecular Weight: | 510.83 |
| Molecular Formula: | C17 H18 Br Cl F N3 O3 S2 |
| Smiles: | C1CN(CCN(C1)S(c1ccc(s1)[Br])(=O)=O)CC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2414 |
| logD: | 4.228 |
| logSw: | -4.4142 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.989 |
| InChI Key: | TZAFHPBTDOONNI-UHFFFAOYSA-N |