4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}benzamide
Chemical Structure Depiction of
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}benzamide
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}benzamide
Compound characteristics
| Compound ID: | K284-4002 |
| Compound Name: | 4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}benzamide |
| Molecular Weight: | 565.53 |
| Molecular Formula: | C28 H29 Br N4 O2 S |
| Smiles: | CCN(CCCNC(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.9447 |
| logD: | 5.8946 |
| logSw: | -5.3178 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.563 |
| InChI Key: | AKNQWWHOULDZAE-UHFFFAOYSA-N |