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 |