6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}hexanamide
Chemical Structure Depiction of
6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}hexanamide
6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}hexanamide
Compound characteristics
| Compound ID: | K284-4124 |
| Compound Name: | 6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}hexanamide |
| Molecular Weight: | 590.56 |
| Molecular Formula: | C27 H33 Br F N5 O2 S |
| Smiles: | C(CCC(NCCCN1CCN(CC1)c1ccccc1F)=O)CCN1C(c2cc(ccc2NC1=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1442 |
| logD: | 3.813 |
| logSw: | -4.1118 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.551 |
| InChI Key: | DTIOJZYYERTQFA-UHFFFAOYSA-N |