3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{3-[ethyl(phenyl)amino]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{3-[ethyl(phenyl)amino]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{3-[ethyl(phenyl)amino]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-2660 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{3-[ethyl(phenyl)amino]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C28 H28 N4 O4 S |
| Smiles: | CCN(CCCNC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(Nc2c1)=S)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6533 |
| logD: | 4.6269 |
| logSw: | -4.2297 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.678 |
| InChI Key: | LFEKOSBZWIGIAR-UHFFFAOYSA-N |