ethyl 5-acetyl-4-methyl-2-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-4-methyl-2-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)thiophene-3-carboxylate
ethyl 5-acetyl-4-methyl-2-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-4200 |
| Compound Name: | ethyl 5-acetyl-4-methyl-2-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)thiophene-3-carboxylate |
| Molecular Weight: | 388.46 |
| Molecular Formula: | C18 H16 N2 O4 S2 |
| Smiles: | CCOC(c1c(C)c(C(C)=O)sc1N1C(=Nc2ccccc2C1=O)S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4678 |
| logD: | -3.4125 |
| logSw: | -2.6832 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.587 |
| InChI Key: | HJJHGEMWYMLCIY-UHFFFAOYSA-N |