methyl 2-{[4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carbonyl]amino}benzoate
methyl 2-{[4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C378-0587 |
| Compound Name: | methyl 2-{[4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carbonyl]amino}benzoate |
| Molecular Weight: | 413.43 |
| Molecular Formula: | C25 H19 N O5 |
| Smiles: | Cc1ccc(cc1)C1=C(C(Nc2ccccc2C(=O)OC)=O)OC(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.623 |
| logD: | 4.5227 |
| logSw: | -4.5538 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.535 |
| InChI Key: | JDMXEXKDLHPHNK-UHFFFAOYSA-N |