6-bromo-3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-bromo-3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-bromo-3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4154 |
| Compound Name: | 6-bromo-3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 549.92 |
| Molecular Formula: | C24 H26 Br Cl N4 O2 S |
| Smiles: | C(CCC(N1CCN(CC1)c1cccc(c1)[Cl])=O)CCN1C(c2cc(ccc2NC1=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1228 |
| logD: | 5.058 |
| logSw: | -5.3073 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.949 |
| InChI Key: | LOQBFZHDYJOHAF-UHFFFAOYSA-N |