4-(azepane-1-sulfonyl)-N-(4-ethoxy-2-nitrophenyl)benzamide
Chemical Structure Depiction of
4-(azepane-1-sulfonyl)-N-(4-ethoxy-2-nitrophenyl)benzamide
4-(azepane-1-sulfonyl)-N-(4-ethoxy-2-nitrophenyl)benzamide
Compound characteristics
| Compound ID: | 3931-0083 |
| Compound Name: | 4-(azepane-1-sulfonyl)-N-(4-ethoxy-2-nitrophenyl)benzamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C21 H25 N3 O6 S |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)NC(c1ccc(cc1)S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3443 |
| logD: | 3.4172 |
| logSw: | -4.2119 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.878 |
| InChI Key: | JKBOYWPDUBTSFO-UHFFFAOYSA-N |