methyl 4-oxo-3-{[4-(propylcarbamoyl)phenyl]methyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-{[4-(propylcarbamoyl)phenyl]methyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-{[4-(propylcarbamoyl)phenyl]methyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0459 |
| Compound Name: | methyl 4-oxo-3-{[4-(propylcarbamoyl)phenyl]methyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | CCCNC(c1ccc(CN2C(c3ccc(cc3NC2=S)C(=O)OC)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2722 |
| logD: | 3.2709 |
| logSw: | -3.4728 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.018 |
| InChI Key: | HRSCVXFHOJYSHS-UHFFFAOYSA-N |