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Mirk-IN-1

CAS No.:
1386979-55-0
Catalog Number:
AG009CJ3
Molecular Formula:
C23H17Cl2N5O4
Molecular Weight:
498.3182
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
99%
1 week
United States
$323
- +
50mg
99%
1 week
United States
$1123
- +
Product Description
Catalog Number:
AG009CJ3
Chemical Name:
Mirk-IN-1
CAS Number:
1386979-55-0
Molecular Formula:
C23H17Cl2N5O4
Molecular Weight:
498.3182
MDL Number:
MFCD28900743
IUPAC Name:
N-[2-chloro-5-[(3-chlorophenyl)methylcarbamoyl]phenyl]-2-methoxy-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxamide
InChI:
InChI=1S/C23H17Cl2N5O4/c1-34-23-27-11-14-8-16(22(33)29-19(14)30-23)21(32)28-18-9-13(5-6-17(18)25)20(31)26-10-12-3-2-4-15(24)7-12/h2-9,11H,10H2,1H3,(H,26,31)(H,28,32)(H,27,29,30,33)
InChI Key:
CQKBSRPVZZLCJE-UHFFFAOYSA-N
SMILES:
COc1ncc2c(n1)[nH]c(=O)c(c2)C(=O)Nc1cc(ccc1Cl)C(=O)NCc1cccc(c1)Cl
Properties
Complexity:
812  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
497.066g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
498.32g/mol
Monoisotopic Mass:
497.066g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties