6-bromo-3-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-bromo-3-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-bromo-3-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4043 |
| Compound Name: | 6-bromo-3-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 569.91 |
| Molecular Formula: | C26 H22 Br Cl N4 O2 S |
| Smiles: | C1CN(CCN1C(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.43 |
| logD: | 5.4082 |
| logSw: | -5.8938 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.227 |
| InChI Key: | YOTZBWLZJDCPSZ-UHFFFAOYSA-N |