4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[ethyl(phenyl)amino]propyl}benzamide
Chemical Structure Depiction of
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[ethyl(phenyl)amino]propyl}benzamide
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[ethyl(phenyl)amino]propyl}benzamide
Compound characteristics
| Compound ID: | K284-4001 |
| Compound Name: | 4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[ethyl(phenyl)amino]propyl}benzamide |
| Molecular Weight: | 551.5 |
| Molecular Formula: | C27 H27 Br N4 O2 S |
| Smiles: | CCN(CCCNC(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5021 |
| logD: | 5.4548 |
| logSw: | -5.2845 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.563 |
| InChI Key: | HFQQKRUSPMYXRN-UHFFFAOYSA-N |