3-[(4-chlorophenyl)methyl]-7-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-7-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[(4-chlorophenyl)methyl]-7-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0828 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-7-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 488.01 |
| Molecular Formula: | C27 H22 Cl N3 O2 S |
| Smiles: | C1CN(CC=C1c1ccccc1)C(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5375 |
| logD: | 5.5373 |
| logSw: | -5.8803 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.695 |
| InChI Key: | WUKCBLSYDQLDJN-UHFFFAOYSA-N |