N-[4-(azepane-1-sulfonyl)phenyl]-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[4-(azepane-1-sulfonyl)phenyl]-2-methyl-3-nitrobenzamide
N-[4-(azepane-1-sulfonyl)phenyl]-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3498 |
| Compound Name: | N-[4-(azepane-1-sulfonyl)phenyl]-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C20 H23 N3 O5 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(Nc1ccc(cc1)S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8549 |
| logD: | 3.3734 |
| logSw: | -4.0117 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.452 |
| InChI Key: | LUWOWHYDLMVKDF-UHFFFAOYSA-N |