2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]-N-[4-(butan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]-N-[4-(butan-2-yl)phenyl]acetamide
2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]-N-[4-(butan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | C036-1008 |
| Compound Name: | 2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]-N-[4-(butan-2-yl)phenyl]acetamide |
| Molecular Weight: | 514.5 |
| Molecular Formula: | C21 H28 Br N3 O3 S2 |
| Smiles: | CCC(C)c1ccc(cc1)NC(CN1CCCN(CC1)S(c1ccc(s1)[Br])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4393 |
| logD: | 5.4393 |
| logSw: | -5.1711 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.989 |
| InChI Key: | LVXVYTQNSCBWLU-INIZCTEOSA-N |