6-bromo-3-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-bromo-3-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-bromo-3-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4104 |
| Compound Name: | 6-bromo-3-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 505.41 |
| Molecular Formula: | C22 H22 Br F N4 O2 S |
| Smiles: | C(CC(N1CCN(CC1)c1ccc(cc1)F)=O)CN1C(c2cc(ccc2NC1=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6797 |
| logD: | 3.6149 |
| logSw: | -3.9914 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.949 |
| InChI Key: | DCVLWACEKFAMOH-UHFFFAOYSA-N |