2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide
2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C036-0469 |
| Compound Name: | 2-[4-(5-bromothiophene-2-sulfonyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 472.42 |
| Molecular Formula: | C18 H22 Br N3 O3 S2 |
| Smiles: | Cc1ccc(cc1)NC(CN1CCCN(CC1)S(c1ccc(s1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9346 |
| logD: | 3.9346 |
| logSw: | -3.7629 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.989 |
| InChI Key: | VJQDPMTZRLUYHC-UHFFFAOYSA-N |