dimethyl 2-{[3-(4-chlorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[3-(4-chlorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}benzene-1,4-dicarboxylate
dimethyl 2-{[3-(4-chlorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | D429-0160 |
| Compound Name: | dimethyl 2-{[3-(4-chlorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}benzene-1,4-dicarboxylate |
| Molecular Weight: | 493.9 |
| Molecular Formula: | C26 H20 Cl N O7 |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(c1ccc2C(=O)OC(Cc2c1)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1791 |
| logD: | 3.8191 |
| logSw: | -5.594 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.532 |
| InChI Key: | UFXOBIBGSRTFPB-QFIPXVFZSA-N |