4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-{3-[4-(3-chlorophenyl)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-(3-chlorophenyl)piperazin-1-yl]propyl}butanamide
4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}butanamide
Compound characteristics
| Compound ID: | K284-4073 |
| Compound Name: | 4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}butanamide |
| Molecular Weight: | 578.96 |
| Molecular Formula: | C25 H29 Br Cl N5 O2 S |
| Smiles: | C(CC(NCCCN1CCN(CC1)c1cccc(c1)[Cl])=O)CN1C(c2cc(ccc2NC1=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5392 |
| logD: | 2.9531 |
| logSw: | -3.9634 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.852 |
| InChI Key: | YEGZSJGQSSSHLC-UHFFFAOYSA-N |