4(3H)-Quinazolinone,7-chloro-3-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-


Chemical Name: 4(3H)-Quinazolinone,7-chloro-3-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-
CAS Number: 187949-02-6
Product Number: AG002GL9(AGN-PC-0QH0ED)
Synonyms:
MDL No:
Molecular Formula: C20H16ClF2N5O2
Molecular Weight: 431.8231

Identification/Properties


Properties
MP:
121-122°C
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
431.828g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
5
Exact Mass:
431.096g/mol
Monoisotopic Mass:
431.096g/mol
Topological Polar Surface Area:
83.6A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
673
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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