3-[(furan-2-yl)methyl]-7-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[(furan-2-yl)methyl]-7-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[(furan-2-yl)methyl]-7-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-1876 |
| Compound Name: | 3-[(furan-2-yl)methyl]-7-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C25 H21 N3 O3 S |
| Smiles: | C1CN(CC=C1c1ccccc1)C(c1ccc2C(N(Cc3ccco3)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1962 |
| logD: | 4.1959 |
| logSw: | -4.237 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.443 |
| InChI Key: | MPQPCZFCGHOKRH-UHFFFAOYSA-N |