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860650-45-9 | 7-(2H-1,3-benzodioxol-5-yl)-2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CAS No: 860650-45-9 Catalog No: AG00IPWT MDL No:MFCD03787402
Product Description
Catalog Number:
AG00IPWT
Chemical Name:
7-(2H-1,3-benzodioxol-5-yl)-2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CAS Number:
860650-45-9
Molecular Formula:
C24H20N4O2
Molecular Weight:
396.4412
MDL Number:
MFCD03787402
IUPAC Name:
7-(1,3-benzodioxol-5-yl)-2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
InChI:
InChI=1S/C24H20N4O2/c1-24(2,3)17-7-4-15(5-8-17)22-26-23-19(13-25)18(10-11-28(23)27-22)16-6-9-20-21(12-16)30-14-29-20/h4-12H,14H2,1-3H3
InChI Key:
UJUTVBHVGYWQBG-UHFFFAOYSA-N
SMILES:
N#Cc1c(ccn2c1nc(n2)c1ccc(cc1)C(C)(C)C)c1ccc2c(c1)OCO2
Properties
Complexity:
662
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.159g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.45g/mol
Monoisotopic Mass:
396.159g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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