2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-(3-methylphenyl)acetamide
2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C036-0100 |
| Compound Name: | 2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 466.4 |
| Molecular Formula: | C20 H24 Br N3 O3 S |
| Smiles: | Cc1cccc(c1)NC(CN1CCCN(CC1)S(c1ccc(cc1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1764 |
| logD: | 4.1764 |
| logSw: | -4.0981 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.97 |
| InChI Key: | ZCMITVPRNOMWLP-UHFFFAOYSA-N |