4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[(3-chlorophenyl)methyl]benzamide
Chemical Structure Depiction of
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[(3-chlorophenyl)methyl]benzamide
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[(3-chlorophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-4012 |
| Compound Name: | 4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[(3-chlorophenyl)methyl]benzamide |
| Molecular Weight: | 514.83 |
| Molecular Formula: | C23 H17 Br Cl N3 O2 S |
| Smiles: | C(c1cccc(c1)[Cl])NC(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4933 |
| logD: | 5.4715 |
| logSw: | -5.9043 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.731 |
| InChI Key: | MKKMKIBBGUFEQT-UHFFFAOYSA-N |