ethyl 5-acetyl-2-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-2-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4-methylthiophene-3-carboxylate
ethyl 5-acetyl-2-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3002-0214 |
| Compound Name: | ethyl 5-acetyl-2-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 478.32 |
| Molecular Formula: | C20 H16 Br N O6 S |
| Smiles: | CCOC(c1c(C)c(C(C)=O)sc1NC(C1=Cc2cc(ccc2OC1=O)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6008 |
| logD: | -1.8932 |
| logSw: | -4.074 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.626 |
| InChI Key: | ILCFRDJYNKSTJO-UHFFFAOYSA-N |