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AUZ 454

CAS No.:
853299-07-7
Catalog Number:
AG00G3SE
Molecular Formula:
C24H26F3N7O2
Molecular Weight:
501.5041
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
2mg
99%
1 week
United States
$223
- +
5mg
99%
1 week
United States
$307
- +
10mg
99%
1 week
United States
$490
- +
25mg
99%
1 week
United States
$957
- +
50mg
99%
1 week
United States
$1573
- +
Product Description
Catalog Number:
AG00G3SE
Chemical Name:
AUZ 454
CAS Number:
853299-07-7
Molecular Formula:
C24H26F3N7O2
Molecular Weight:
501.5041
MDL Number:
MFCD19443769
IUPAC Name:
1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
InChI:
InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35)
InChI Key:
PWDLXPJQFNVTNL-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)/N=C(/Nc1ccc(cc1)Oc1cc[nH]c(=N)n1)\O
Properties
Complexity:
700  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
501.21g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
501.514g/mol
Monoisotopic Mass:
501.21g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties