methyl 4-{[4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carbonyl]amino}benzoate
methyl 4-{[4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | K953-0092 |
| Compound Name: | methyl 4-{[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(Nc2ccc(cc2)C(=O)OC)=O)OC(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.791 |
| logD: | 4.7903 |
| logSw: | -4.7076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.233 |
| InChI Key: | PCSDTLJHNLXKCV-UHFFFAOYSA-N |