N~3~-[2-(thiophen-2-yl)quinazolin-4-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-[2-(thiophen-2-yl)quinazolin-4-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
N~3~-[2-(thiophen-2-yl)quinazolin-4-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide
Compound characteristics
| Compound ID: | V013-8147 |
| Compound Name: | N~3~-[2-(thiophen-2-yl)quinazolin-4-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}-beta-alaninamide |
| Molecular Weight: | 456.49 |
| Molecular Formula: | C23 H19 F3 N4 O S |
| Salt: | not_available |
| Smiles: | C(CNc1c2ccccc2nc(c2cccs2)n1)C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2947 |
| logD: | 5.2878 |
| logSw: | -6.0193 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.459 |
| InChI Key: | NCUFUUGRLGDSAR-UHFFFAOYSA-N |