3-[(2-methoxyphenyl)methyl]-7-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[(2-methoxyphenyl)methyl]-7-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[(2-methoxyphenyl)methyl]-7-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0817 |
| Compound Name: | 3-[(2-methoxyphenyl)methyl]-7-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C28 H25 N3 O3 S |
| Smiles: | COc1ccccc1CN1C(c2ccc(cc2NC1=S)C(N1CCC(=CC1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8948 |
| logD: | 4.8946 |
| logSw: | -4.5128 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.325 |
| InChI Key: | SQKYDRHSVCKICX-UHFFFAOYSA-N |