methyl 3-(2-methylcyclohexyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(2-methylcyclohexyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(2-methylcyclohexyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K287-0276 |
| Compound Name: | methyl 3-(2-methylcyclohexyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C17 H20 N2 O3 S |
| Smiles: | CC1CCCCC1N1C(c2ccc(cc2NC1=S)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5544 |
| logD: | 3.5529 |
| logSw: | -3.8422 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.179 |
| InChI Key: | ISKIQBBLHZBAII-UHFFFAOYSA-N |