6-bromo-3-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-bromo-3-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-bromo-3-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4039 |
| Compound Name: | 6-bromo-3-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 535.46 |
| Molecular Formula: | C26 H23 Br N4 O2 S |
| Smiles: | C1CN(CCN1C(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8463 |
| logD: | 4.8246 |
| logSw: | -4.7533 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.227 |
| InChI Key: | INQBYHDQLLOXAV-UHFFFAOYSA-N |