4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}butanamide
Chemical Structure Depiction of
4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}butanamide
4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}butanamide
Compound characteristics
| Compound ID: | K284-4075 |
| Compound Name: | 4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}butanamide |
| Molecular Weight: | 562.5 |
| Molecular Formula: | C25 H29 Br F N5 O2 S |
| Smiles: | C(CC(NCCCN1CCN(CC1)c1ccccc1F)=O)CN1C(c2cc(ccc2NC1=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1341 |
| logD: | 2.8029 |
| logSw: | -3.5976 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.551 |
| InChI Key: | YRWCZKWUMZTGKW-UHFFFAOYSA-N |