N-[4-(azepane-1-sulfonyl)phenyl]-4,5-dimethoxy-2-nitrobenzamide
Chemical Structure Depiction of
N-[4-(azepane-1-sulfonyl)phenyl]-4,5-dimethoxy-2-nitrobenzamide
N-[4-(azepane-1-sulfonyl)phenyl]-4,5-dimethoxy-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3523 |
| Compound Name: | N-[4-(azepane-1-sulfonyl)phenyl]-4,5-dimethoxy-2-nitrobenzamide |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C21 H25 N3 O7 S |
| Smiles: | COc1cc(C(Nc2ccc(cc2)S(N2CCCCCC2)(=O)=O)=O)c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1348 |
| logD: | 2.7411 |
| logSw: | -3.7541 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.713 |
| InChI Key: | DUERPDASVJXNRH-UHFFFAOYSA-N |