methyl 4-oxo-3-[4-(propan-2-yl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-[4-(propan-2-yl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-[4-(propan-2-yl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0062 |
| Compound Name: | methyl 4-oxo-3-[4-(propan-2-yl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C19 H18 N2 O3 S |
| Smiles: | CC(C)c1ccc(cc1)N1C(c2ccc(cc2NC1=S)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2964 |
| logD: | 4.2751 |
| logSw: | -4.3412 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.88 |
| InChI Key: | GKGXTNYBUKKBGG-UHFFFAOYSA-N |