N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | A0061228 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
Molecular Weight: | 431.47 |
Molecular Formula: | C23 H17 N3 O4 S |
Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc2C(N(C(Nc2c1)=S)c1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.2762 |
logD: | 3.2625 |
logSw: | -3.6151 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 68.235 |
InChI Key: | JMOXIYBSAKHBIM-UHFFFAOYSA-N |