dimethyl 5-{[4-chloro-3-(2,4-dinitrobenzamido)benzene-1-sulfonyl]amino}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[4-chloro-3-(2,4-dinitrobenzamido)benzene-1-sulfonyl]amino}benzene-1,3-dicarboxylate
dimethyl 5-{[4-chloro-3-(2,4-dinitrobenzamido)benzene-1-sulfonyl]amino}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 8004-3356 |
| Compound Name: | dimethyl 5-{[4-chloro-3-(2,4-dinitrobenzamido)benzene-1-sulfonyl]amino}benzene-1,3-dicarboxylate |
| Molecular Weight: | 592.92 |
| Molecular Formula: | C23 H17 Cl N4 O11 S |
| Smiles: | COC(c1cc(cc(c1)NS(c1ccc(c(c1)NC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O)[Cl])(=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3417 |
| logD: | 1.8776 |
| logSw: | -4.6332 |
| Hydrogen bond acceptors count: | 20 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 172.091 |
| InChI Key: | FWIWBQRDKCBXRW-UHFFFAOYSA-N |