6-bromo-3-{[4-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-bromo-3-{[4-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-bromo-3-{[4-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4029 |
| Compound Name: | 6-bromo-3-{[4-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 532.46 |
| Molecular Formula: | C27 H22 Br N3 O2 S |
| Smiles: | C1CN(CC=C1c1ccccc1)C(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7468 |
| logD: | 5.725 |
| logSw: | -5.8564 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.695 |
| InChI Key: | JDJSODKZHOQCNI-UHFFFAOYSA-N |