3-[2-oxo-2-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)ethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[2-oxo-2-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)ethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[2-oxo-2-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)ethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0221 |
| Compound Name: | 3-[2-oxo-2-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)ethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C21 H19 N3 O2 S |
| Smiles: | C1CN(CC=C1c1ccccc1)C(CN1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3606 |
| logD: | 3.36 |
| logSw: | -3.6774 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.439 |
| InChI Key: | QAKUVVFMPQOWLL-UHFFFAOYSA-N |