N~3~-(2-methylpropyl)-N~3~-[2-(thiophen-2-yl)quinazolin-4-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-methylpropyl)-N~3~-[2-(thiophen-2-yl)quinazolin-4-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
N~3~-(2-methylpropyl)-N~3~-[2-(thiophen-2-yl)quinazolin-4-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Compound characteristics
| Compound ID: | V024-4212 |
| Compound Name: | N~3~-(2-methylpropyl)-N~3~-[2-(thiophen-2-yl)quinazolin-4-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide |
| Molecular Weight: | 512.6 |
| Molecular Formula: | C27 H27 F3 N4 O S |
| Salt: | not_available |
| Smiles: | CC(C)CN(CCC(NCc1cccc(c1)C(F)(F)F)=O)c1c2ccccc2nc(c2cccs2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.7359 |
| logD: | 6.7131 |
| logSw: | -6.0365 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.669 |
| InChI Key: | SAGJHAAHPQXWHY-UHFFFAOYSA-N |