methyl 2-{[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}benzoate
methyl 2-{[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D429-0154 |
| Compound Name: | methyl 2-{[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}benzoate |
| Molecular Weight: | 415.44 |
| Molecular Formula: | C25 H21 N O5 |
| Smiles: | Cc1ccc(cc1)C1Cc2cc(ccc2C(=O)O1)C(Nc1ccccc1C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9176 |
| logD: | 4.0816 |
| logSw: | -4.6231 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.358 |
| InChI Key: | PNENUKVADBXNQA-QFIPXVFZSA-N |