3-[5-(3-Methoxyphenyl)-7-(Trifluoromethyl)[1,2,4]Triazolo[1,5-A]Pyrimidin-2-Yl]Propanoic Acid - CAS 1160246-12-7
Catalog: |
BB053035 |
Product Name: |
3-[5-(3-Methoxyphenyl)-7-(Trifluoromethyl)[1,2,4]Triazolo[1,5-A]Pyrimidin-2-Yl]Propanoic Acid |
CAS: |
1160246-12-7 |
Synonyms: |
3-[5-(3-methoxyphenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoicacid |
IUPAC Name: | 3-[5-(3-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid |
Molecular Weight: | 366.29 |
Molecular Formula: | C16H13F3N4O3 |
Canonical SMILES: | COC1=CC=CC(=C1)C2=NC3=NC(=NN3C(=C2)C(F)(F)F)CCC(=O)O |
InChI: | InChI=1S/C16H13F3N4O3/c1-26-10-4-2-3-9(7-10)11-8-12(16(17,18)19)23-15(20-11)21-13(22-23)5-6-14(24)25/h2-4,7-8H,5-6H2,1H3,(H,24,25) |
InChI Key: | UTYNSVRUYHWNBD-UHFFFAOYSA-N |
Purity: | 95% |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 508 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 366.09397478 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 366.09397478 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 89.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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