dimethyl 5-{[4-chloro-3-(4-nitrobenzamido)benzene-1-sulfonyl]amino}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[4-chloro-3-(4-nitrobenzamido)benzene-1-sulfonyl]amino}benzene-1,3-dicarboxylate
dimethyl 5-{[4-chloro-3-(4-nitrobenzamido)benzene-1-sulfonyl]amino}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 8003-9393 |
| Compound Name: | dimethyl 5-{[4-chloro-3-(4-nitrobenzamido)benzene-1-sulfonyl]amino}benzene-1,3-dicarboxylate |
| Molecular Weight: | 547.93 |
| Molecular Formula: | C23 H18 Cl N3 O9 S |
| Smiles: | COC(c1cc(cc(c1)NS(c1ccc(c(c1)NC(c1ccc(cc1)[N+]([O-])=O)=O)[Cl])(=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4739 |
| logD: | 3.977 |
| logSw: | -4.6387 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 139.011 |
| InChI Key: | UXUWYODMGUICPF-UHFFFAOYSA-N |