3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
Chemical Structure Depiction of
3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
Compound characteristics
| Compound ID: | A0062809 |
| Compound Name: | 3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid |
| Molecular Weight: | 328.34 |
| Molecular Formula: | C16 H12 N2 O4 S |
| Smiles: | COc1ccc(cc1)N1C(c2ccc(cc2NC1=S)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7932 |
| logD: | -0.3092 |
| logSw: | -3.5495 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.658 |
| InChI Key: | WCVUWFLVUMYGHA-UHFFFAOYSA-N |