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  2. (2,2,3,5,6,7,8-heptadeuterio-1,4-benzodioxin-3-yl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[5,8-dideuterio-4-(dideuterioamino)-6,7-bis(trideuteriomethoxy)quinazolin-2-yl]piperazin-1-yl]methanone

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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

(2,2,3,5,6,7,8-heptadeuterio-1,4-benzodioxin-3-yl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[5,8-dideuterio-4-(dideuterioamino)-6,7-bis(trideuteriomethoxy)quinazolin-2-yl]piperazin-1-yl]methanone

COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 Request for Quotation
Chemical Name: (2,2,3,5,6,7,8-heptadeuterio-1,4-benzodioxin-3-yl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[5,8-dideuterio-4-(dideuterioamino)-6,7-bis(trideuteriomethoxy)quinazolin-2-yl]piperazin-1-yl]methanone
CAS Number: 74191-85-8
Product Number: AG019DK4(AGN-PC-04XES1)
Synonyms:
MDL No:
Molecular Formula: C23H25N5O5
Molecular Weight: 451.4751

Identification/Properties

Computed Properties
Molecular Weight:
451.483g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
4
Exact Mass:
451.186g/mol
Monoisotopic Mass:
451.186g/mol
Topological Polar Surface Area:
112A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
678
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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#:
N/A
Hazard Statements:
-
Precautionary Statements:
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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