Benzonitrile,4-[2-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]-


Chemical Name: Benzonitrile,4-[2-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]-
CAS Number: 182760-06-1
Product Number: AG00244E(AGN-PC-0QCAH4)
Synonyms:
MDL No:
Molecular Formula: C22H17F2N5OS
Molecular Weight: 437.4651

Identification/Properties


Computed Properties
Molecular Weight:
437.469g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
6
Exact Mass:
437.112g/mol
Monoisotopic Mass:
437.112g/mol
Topological Polar Surface Area:
116A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
657
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P280-P305+P351+P338-P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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