N~3~-[2-(4-fluorophenyl)quinazolin-4-yl]-N~3~-[(furan-2-yl)methyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-[2-(4-fluorophenyl)quinazolin-4-yl]-N~3~-[(furan-2-yl)methyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
N~3~-[2-(4-fluorophenyl)quinazolin-4-yl]-N~3~-[(furan-2-yl)methyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Compound characteristics
| Compound ID: | V007-3490 |
| Compound Name: | N~3~-[2-(4-fluorophenyl)quinazolin-4-yl]-N~3~-[(furan-2-yl)methyl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide |
| Molecular Weight: | 548.54 |
| Molecular Formula: | C30 H24 F4 N4 O2 |
| Salt: | not_available |
| Smiles: | C(CN(Cc1ccco1)c1c2ccccc2nc(c2ccc(cc2)F)n1)C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0441 |
| logD: | 6.7629 |
| logSw: | -6.6023 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.128 |
| InChI Key: | UAALIMPDJDDDKS-UHFFFAOYSA-N |