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R 80123

CAS No.:
133718-30-6
Catalog Number:
AG009CNN
Molecular Formula:
C26H29N5O3
Molecular Weight:
459.5402
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%
1 week
United States
$207
- +
Product Description
Catalog Number:
AG009CNN
Chemical Name:
R 80123
CAS Number:
133718-30-6
Molecular Formula:
C26H29N5O3
Molecular Weight:
459.5402
MDL Number:
MFCD30489748
IUPAC Name:
N-cyclohexyl-N-methyl-2-[[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)-phenylmethylidene]amino]oxyacetamide
InChI:
InChI=1S/C26H29N5O3/c1-30(21-10-6-3-7-11-21)24(33)17-34-29-25(18-8-4-2-5-9-18)19-12-13-22-20(14-19)15-31-16-23(32)28-26(31)27-22/h2,4-5,8-9,12-14,21H,3,6-7,10-11,15-17H2,1H3,(H,27,28,32)
InChI Key:
VHDUUXNHZLBGHQ-UHFFFAOYSA-N
SMILES:
O=C1CN2C(=Nc3c(C2)cc(cc3)/C(=N\OCC(=O)N(C2CCCCC2)C)/c2ccccc2)N1
Properties
Complexity:
815  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.227g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
459.55g/mol
Monoisotopic Mass:
459.227g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.6  
Properties