dimethyl 2-{[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}benzene-1,4-dicarboxylate
dimethyl 2-{[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | D429-0158 |
| Compound Name: | dimethyl 2-{[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}benzene-1,4-dicarboxylate |
| Molecular Weight: | 473.48 |
| Molecular Formula: | C27 H23 N O7 |
| Smiles: | Cc1ccc(cc1)C1Cc2cc(ccc2C(=O)O1)C(Nc1cc(ccc1C(=O)OC)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0078 |
| logD: | 3.6478 |
| logSw: | -4.6408 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.532 |
| InChI Key: | LJLKDANDBMPXJR-QHCPKHFHSA-N |