methyl 3-[4-(benzyloxy)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[4-(benzyloxy)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[4-(benzyloxy)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K287-0305 |
| Compound Name: | methyl 3-[4-(benzyloxy)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C23 H18 N2 O4 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)OCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3725 |
| logD: | 4.3512 |
| logSw: | -4.5769 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.108 |
| InChI Key: | VQXZVSDAKOZYBC-UHFFFAOYSA-N |