ethyl 4-{[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}benzoate
ethyl 4-{[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D429-0162 |
| Compound Name: | ethyl 4-{[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}benzoate |
| Molecular Weight: | 429.47 |
| Molecular Formula: | C26 H23 N O5 |
| Smiles: | CCOC(c1ccc(cc1)NC(c1ccc2C(=O)OC(Cc2c1)c1ccc(C)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5962 |
| logD: | 5.581 |
| logSw: | -5.4765 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.636 |
| InChI Key: | QLXWIUFCABDOQG-QHCPKHFHSA-N |