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 |