CP-944629 - CAS 668990-94-1
Catalog: |
BB055659 |
Product Name: |
CP-944629 |
CAS: |
668990-94-1 |
Synonyms: |
3-(1,1-Dimethylethyl)-6-[4-(2,4,5-trifluorophenyl)-5-oxazolyl]-1,2,4-triazolo[4,3-a]pyridine; 3-tert-Butyl-6-[4-(2,4,5-trifluorophenyl)-1,3-oxazol-5-yl][1,2,4]triazolo[4,3-a]pyridine; 3-tert-Butyl-6-[4-(2,4,5-trifluorophenyl)oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridine |
IUPAC Name: | 5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,4,5-trifluorophenyl)-1,3-oxazole |
Description: | CP-944629 (cas# 668990-94-1) is a useful research chemical. |
Molecular Weight: | 372.35 |
Molecular Formula: | C19H15F3N4O |
Canonical SMILES: | CC(C)(C)C1=NN=C2N1C=C(C=C2)C3=C(N=CO3)C4=CC(=C(C=C4F)F)F |
InChI: | InChI=1S/C19H15F3N4O/c1-19(2,3)18-25-24-15-5-4-10(8-26(15)18)17-16(23-9-27-17)11-6-13(21)14(22)7-12(11)20/h4-9H,1-3H3 |
InChI Key: | VNZJNPIWZYMGAO-UHFFFAOYSA-N |
Complexity: | 534 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 372.1197956 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 372.1197956 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 56.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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