methyl 3-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzoate
Chemical Structure Depiction of
methyl 3-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzoate
methyl 3-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzoate
Compound characteristics
| Compound ID: | Y500-4459 |
| Compound Name: | methyl 3-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzoate |
| Molecular Weight: | 312.34 |
| Molecular Formula: | C16 H12 N2 O3 S |
| Smiles: | COC(c1cccc(c1)N1C(=Nc2ccccc2C1=O)S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2788 |
| logD: | -3.1885 |
| logSw: | -2.7716 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.111 |
| InChI Key: | LTPDJBBTXDDEJD-UHFFFAOYSA-N |