methyl 4,5-dimethoxy-2-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzoate
Chemical Structure Depiction of
methyl 4,5-dimethoxy-2-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzoate
methyl 4,5-dimethoxy-2-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzoate
Compound characteristics
| Compound ID: | Y500-4301 |
| Compound Name: | methyl 4,5-dimethoxy-2-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzoate |
| Molecular Weight: | 372.4 |
| Molecular Formula: | C18 H16 N2 O5 S |
| Smiles: | COC(c1cc(c(cc1N1C(=Nc2ccccc2C1=O)S)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0384 |
| logD: | -3.933 |
| logSw: | -2.6389 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.071 |
| InChI Key: | KKDZLOYBBKQJBZ-UHFFFAOYSA-N |