methyl 4-methyl-3-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzoate
Chemical Structure Depiction of
methyl 4-methyl-3-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzoate
methyl 4-methyl-3-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzoate
Compound characteristics
| Compound ID: | Y500-4288 |
| Compound Name: | methyl 4-methyl-3-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzoate |
| Molecular Weight: | 326.37 |
| Molecular Formula: | C17 H14 N2 O3 S |
| Smiles: | Cc1ccc(cc1N1C(=Nc2ccccc2C1=O)S)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8363 |
| logD: | -3.6008 |
| logSw: | -3.4366 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.81 |
| InChI Key: | AJRFEZIEFUFOOU-UHFFFAOYSA-N |