N-{4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl}-beta-alanine
Chemical Structure Depiction of
N-{4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl}-beta-alanine
N-{4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl}-beta-alanine
Compound characteristics
| Compound ID: | Y041-4090 |
| Compound Name: | N-{4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl}-beta-alanine |
| Molecular Weight: | 374.34 |
| Molecular Formula: | C15 H13 F3 N2 O4 S |
| Smiles: | Cc1c(C(NCCC(O)=O)=O)sc(c2ccc(cc2)OC(F)(F)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.8302 |
| logD: | 0.1345 |
| logSw: | -3.5019 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.396 |
| InChI Key: | CZRGNLCFGIDBND-UHFFFAOYSA-N |