6-bromo-3-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-bromo-3-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-bromo-3-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-3980 |
| Compound Name: | 6-bromo-3-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 537.44 |
| Molecular Formula: | C24 H21 Br N6 O2 S |
| Smiles: | C1CN(CCN1C(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 4.011 |
| logD: | 3.9892 |
| logSw: | -4.2001 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.589 |
| InChI Key: | CYZAIIDJLKSCHG-UHFFFAOYSA-N |