methyl 2-{[3-(4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[3-(4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
methyl 2-{[3-(4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D546-0085 |
| Compound Name: | methyl 2-{[3-(4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 453.49 |
| Molecular Formula: | C24 H20 F N O5 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(c2ccc3C(=O)OC(Cc3c2)c2ccc(cc2)F)=O)sc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8792 |
| logD: | 0.5319 |
| logSw: | -4.7727 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.851 |
| InChI Key: | SGVNZQWJHRPSEJ-LJQANCHMSA-N |