dimethyl 5-[3-(4-bromobenzene-1-sulfonyl)propanamido]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[3-(4-bromobenzene-1-sulfonyl)propanamido]benzene-1,3-dicarboxylate
dimethyl 5-[3-(4-bromobenzene-1-sulfonyl)propanamido]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K978-0785 |
| Compound Name: | dimethyl 5-[3-(4-bromobenzene-1-sulfonyl)propanamido]benzene-1,3-dicarboxylate |
| Molecular Weight: | 484.32 |
| Molecular Formula: | C19 H18 Br N O7 S |
| Smiles: | COC(c1cc(cc(c1)NC(CCS(c1ccc(cc1)[Br])(=O)=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.583 |
| logD: | 3.5827 |
| logSw: | -3.8604 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.5 |
| InChI Key: | GYAPEXXFQLEWQW-UHFFFAOYSA-N |