3-(3,4-dimethoxyphenyl)-4-oxo-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-4-oxo-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(3,4-dimethoxyphenyl)-4-oxo-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | A0061864 |
Compound Name: | 3-(3,4-dimethoxyphenyl)-4-oxo-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
Molecular Weight: | 448.5 |
Molecular Formula: | C23 H20 N4 O4 S |
Smiles: | COc1ccc(cc1OC)N1C(c2ccc(cc2NC1=S)C(NCc1cccnc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.9146 |
logD: | 1.9076 |
logSw: | -2.5299 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.898 |
InChI Key: | REWUOACHLFJOKK-UHFFFAOYSA-N |