3-(azepane-1-sulfonyl)-4-methyl-N-(4-nitrophenyl)benzamide
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)-4-methyl-N-(4-nitrophenyl)benzamide
3-(azepane-1-sulfonyl)-4-methyl-N-(4-nitrophenyl)benzamide
Compound characteristics
| Compound ID: | 3019-0079 |
| Compound Name: | 3-(azepane-1-sulfonyl)-4-methyl-N-(4-nitrophenyl)benzamide |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C20 H23 N3 O5 S |
| Smiles: | Cc1ccc(cc1S(N1CCCCCC1)(=O)=O)C(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0609 |
| logD: | 3.8158 |
| logSw: | -4.0388 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.753 |
| InChI Key: | WVLQZTIJJGTYEL-UHFFFAOYSA-N |