dimethyl 2-[(7-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[(7-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]benzene-1,4-dicarboxylate
dimethyl 2-[(7-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | D731-0204 |
| Compound Name: | dimethyl 2-[(7-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]benzene-1,4-dicarboxylate |
| Molecular Weight: | 431.83 |
| Molecular Formula: | C21 H18 Cl N O7 |
| Smiles: | CC1(Cc2ccc(cc2C(=O)O1)[Cl])C(Nc1cc(ccc1C(=O)OC)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1058 |
| logD: | 3.8001 |
| logSw: | -4.5973 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.101 |
| InChI Key: | HEVJDUXRXBWBGJ-NRFANRHFSA-N |