methyl 3-{[3-(4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[3-(4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}benzoate
methyl 3-{[3-(4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D546-0080 |
| Compound Name: | methyl 3-{[3-(4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}benzoate |
| Molecular Weight: | 419.41 |
| Molecular Formula: | C24 H18 F N O5 |
| Smiles: | COC(c1cccc(c1)NC(c1ccc2C(=O)OC(Cc2c1)c1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8718 |
| logD: | 4.8706 |
| logSw: | -4.6581 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.056 |
| InChI Key: | UUQXFHZBCGBXFK-NRFANRHFSA-N |