6-bromo-3-[(4-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl}phenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-bromo-3-[(4-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl}phenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-bromo-3-[(4-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl}phenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4031 |
| Compound Name: | 6-bromo-3-[(4-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl}phenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 618.47 |
| Molecular Formula: | C28 H23 Br F3 N3 O3 S |
| Smiles: | C1CN(CCC1(c1cccc(c1)C(F)(F)F)O)C(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2135 |
| logD: | 5.1917 |
| logSw: | -5.2984 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.8 |
| InChI Key: | QUXSPOVQYFOLBI-UHFFFAOYSA-N |