6-bromo-3-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-bromo-3-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-bromo-3-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4105 |
| Compound Name: | 6-bromo-3-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 521.86 |
| Molecular Formula: | C22 H22 Br Cl N4 O2 S |
| Smiles: | C(CC(N1CCN(CC1)c1cccc(c1)[Cl])=O)CN1C(c2cc(ccc2NC1=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1127 |
| logD: | 4.0479 |
| logSw: | -4.4148 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.949 |
| InChI Key: | GMAPIZKUQZABGM-UHFFFAOYSA-N |