2-[2-(4-tert-butylphenyl)ethenyl]-7-chloro-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-[2-(4-tert-butylphenyl)ethenyl]-7-chloro-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one
2-[2-(4-tert-butylphenyl)ethenyl]-7-chloro-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K505-0794 |
| Compound Name: | 2-[2-(4-tert-butylphenyl)ethenyl]-7-chloro-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one |
| Molecular Weight: | 482.93 |
| Molecular Formula: | C27 H22 Cl F3 N2 O |
| Smiles: | CC(C)(C)c1ccc(/C=C/C2=Nc3cc(ccc3C(N2c2cccc(c2)C(F)(F)F)=O)[Cl])cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.5482 |
| logD: | 7.5479 |
| logSw: | -6.4739 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.5941 |
| InChI Key: | ZGVYZUPXLTXAEQ-UHFFFAOYSA-N |