methyl 3-(3,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(3,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(3,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
Compound ID: | F207-0054 |
Compound Name: | methyl 3-(3,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
Molecular Weight: | 372.4 |
Molecular Formula: | C18 H16 N2 O5 S |
Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1cc(cc(c1)OC)OC)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.3575 |
logD: | 3.3521 |
logSw: | -3.7163 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.968 |
InChI Key: | KEPLSBQPNVDPHF-UHFFFAOYSA-N |