methyl 5'-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino][2,3'-bithiophene]-4'-carboxylate
Chemical Structure Depiction of
methyl 5'-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino][2,3'-bithiophene]-4'-carboxylate
methyl 5'-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino][2,3'-bithiophene]-4'-carboxylate
Compound characteristics
| Compound ID: | D304-0048 |
| Compound Name: | methyl 5'-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino][2,3'-bithiophene]-4'-carboxylate |
| Molecular Weight: | 411.45 |
| Molecular Formula: | C20 H13 N O5 S2 |
| Smiles: | COC(c1c(csc1NC(C1=Cc2ccccc2OC1=O)=O)c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8531 |
| logD: | 2.3128 |
| logSw: | -4.3662 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.966 |
| InChI Key: | JOYAIWINBZKYFP-UHFFFAOYSA-N |