dimethyl 5-{[N-(2,1,3-benzoxadiazole-4-sulfonyl)-beta-alanyl]amino}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[N-(2,1,3-benzoxadiazole-4-sulfonyl)-beta-alanyl]amino}benzene-1,3-dicarboxylate
dimethyl 5-{[N-(2,1,3-benzoxadiazole-4-sulfonyl)-beta-alanyl]amino}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C105-1400 |
| Compound Name: | dimethyl 5-{[N-(2,1,3-benzoxadiazole-4-sulfonyl)-beta-alanyl]amino}benzene-1,3-dicarboxylate |
| Molecular Weight: | 462.44 |
| Molecular Formula: | C19 H18 N4 O8 S |
| Smiles: | COC(c1cc(cc(c1)NC(CCNS(c1cccc2c1non2)(=O)=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8383 |
| logD: | 2.8329 |
| logSw: | -3.5611 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 143.425 |
| InChI Key: | HYZFTZXLXGUXNP-UHFFFAOYSA-N |