methyl 5'-{2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}[2,3'-bithiophene]-4'-carboxylate
Chemical Structure Depiction of
methyl 5'-{2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}[2,3'-bithiophene]-4'-carboxylate
methyl 5'-{2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}[2,3'-bithiophene]-4'-carboxylate
Compound characteristics
| Compound ID: | D304-0049 |
| Compound Name: | methyl 5'-{2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamido}[2,3'-bithiophene]-4'-carboxylate |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C22 H17 N O6 S2 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCC(Nc1c(C(=O)OC)c(cs1)c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8686 |
| logD: | 3.8441 |
| logSw: | -4.2494 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.738 |
| InChI Key: | VUEBPJUHPIXWMY-UHFFFAOYSA-N |