4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}benzamide
Chemical Structure Depiction of
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}benzamide
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}benzamide
Compound characteristics
Compound ID: | K284-3998 |
Compound Name: | 4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}benzamide |
Molecular Weight: | 610.55 |
Molecular Formula: | C29 H29 Br F N5 O2 S |
Smiles: | C(CNC(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O)CN1CCN(CC1)c1ccccc1F |
Stereo: | ACHIRAL |
logP: | 4.9005 |
logD: | 4.5993 |
logSw: | -4.6677 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 58.515 |
InChI Key: | CMAVQFJJHBXACI-UHFFFAOYSA-N |