N~3~-[2-(furan-2-yl)quinazolin-4-yl]-N~3~-(2-methylpropyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-[2-(furan-2-yl)quinazolin-4-yl]-N~3~-(2-methylpropyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
N~3~-[2-(furan-2-yl)quinazolin-4-yl]-N~3~-(2-methylpropyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Compound characteristics
| Compound ID: | V003-0562 |
| Compound Name: | N~3~-[2-(furan-2-yl)quinazolin-4-yl]-N~3~-(2-methylpropyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide |
| Molecular Weight: | 496.53 |
| Molecular Formula: | C27 H27 F3 N4 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CN(CCC(NCc1cccc(c1)C(F)(F)F)=O)c1c2ccccc2nc(c2ccco2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.965 |
| logD: | 5.9549 |
| logSw: | -5.9446 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.229 |
| InChI Key: | DWKXWORTABEMGG-UHFFFAOYSA-N |