3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
Chemical Structure Depiction of
3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
Compound characteristics
| Compound ID: | A0062796 |
| Compound Name: | 3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid |
| Molecular Weight: | 358.37 |
| Molecular Formula: | C17 H14 N2 O5 S |
| Smiles: | COc1ccc(c(c1)N1C(c2ccc(cc2NC1=S)C(O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0034 |
| logD: | -0.099 |
| logSw: | -3.5632 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.988 |
| InChI Key: | OTVZAJUDLQAVCO-UHFFFAOYSA-N |