2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
Chemical Structure Depiction of
2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C036-1007 |
| Compound Name: | 2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide |
| Molecular Weight: | 500.48 |
| Molecular Formula: | C20 H26 Br N3 O3 S2 |
| Smiles: | CCc1cccc(C)c1NC(CN1CCCN(CC1)S(c1ccc(s1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1799 |
| logD: | 4.179 |
| logSw: | -3.9208 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.593 |
| InChI Key: | GFOPPRMBDDSQSZ-UHFFFAOYSA-N |