dimethyl 5-{[4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carbonyl]amino}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carbonyl]amino}benzene-1,3-dicarboxylate
dimethyl 5-{[4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carbonyl]amino}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C378-0583 |
| Compound Name: | dimethyl 5-{[4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carbonyl]amino}benzene-1,3-dicarboxylate |
| Molecular Weight: | 471.47 |
| Molecular Formula: | C27 H21 N O7 |
| Smiles: | Cc1ccc(cc1)C1=C(C(Nc2cc(cc(c2)C(=O)OC)C(=O)OC)=O)OC(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1891 |
| logD: | 5.1889 |
| logSw: | -5.2065 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.407 |
| InChI Key: | GRZJLGLDIOFEOF-UHFFFAOYSA-N |