N~3~-[(furan-2-yl)methyl]-N~3~-[2-(thiophen-2-yl)quinazolin-4-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-[(furan-2-yl)methyl]-N~3~-[2-(thiophen-2-yl)quinazolin-4-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
N~3~-[(furan-2-yl)methyl]-N~3~-[2-(thiophen-2-yl)quinazolin-4-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Compound characteristics
| Compound ID: | V027-0280 |
| Compound Name: | N~3~-[(furan-2-yl)methyl]-N~3~-[2-(thiophen-2-yl)quinazolin-4-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide |
| Molecular Weight: | 536.58 |
| Molecular Formula: | C28 H23 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | C(CN(Cc1ccco1)c1c2ccccc2nc(c2cccs2)n1)C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4049 |
| logD: | 6.3808 |
| logSw: | -6.5183 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.147 |
| InChI Key: | OPERRXMTWPQYEV-UHFFFAOYSA-N |