methyl 3-[(3-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(3-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[(3-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0055 |
| Compound Name: | methyl 3-[(3-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 356.4 |
| Molecular Formula: | C18 H16 N2 O4 S |
| Smiles: | COC(c1ccc2C(N(Cc3cccc(c3)OC)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6049 |
| logD: | 3.6035 |
| logSw: | -3.906 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.035 |
| InChI Key: | OTUWCPOSKAPUIP-UHFFFAOYSA-N |