3-({4-[4-(4-acetylphenyl)piperazine-1-carbonyl]phenyl}methyl)-6-bromo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-({4-[4-(4-acetylphenyl)piperazine-1-carbonyl]phenyl}methyl)-6-bromo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-({4-[4-(4-acetylphenyl)piperazine-1-carbonyl]phenyl}methyl)-6-bromo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4045 |
| Compound Name: | 3-({4-[4-(4-acetylphenyl)piperazine-1-carbonyl]phenyl}methyl)-6-bromo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 577.5 |
| Molecular Formula: | C28 H25 Br N4 O3 S |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.51 |
| logD: | 4.4882 |
| logSw: | -4.1488 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.053 |
| InChI Key: | LLUAJUSZKFNTFZ-UHFFFAOYSA-N |