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1000599-06-3 | 4-Quinazolinamine, N-(3,4-dichloro-2-fluorophenyl)-6-methoxy-7-[[(3aα,5β,6aα)-octahydro-2-methylcyclopenta[c]pyrrol-5-yl]methoxy]-, , 4-methylbenzenesulfonate (1:1)
CAS No: 1000599-06-3 Catalog No: AG0000S6 MDL No:
Product Description
Catalog Number:
AG0000S6
Chemical Name:
4-Quinazolinamine, N-(3,4-dichloro-2-fluorophenyl)-6-methoxy-7-[[(3aα,5β,6aα)-octahydro-2-methylcyclopenta[c]pyrrol-5-yl]methoxy]-, , 4-methylbenzenesulfonate (1:1)
CAS Number:
1000599-06-3
IUPAC Name:
7-[[(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methoxy]-N-(3,4-dichloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C24H25Cl2FN4O2.C7H8O3S/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4-3-17(25)22(26)23(18)27;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30);2-5H,1H3,(H,8,9,10)/t13?,14-,15+;
InChI Key:
GQLLAIBEWDUUBQ-XZPOUAKSSA-N
UNII:
GKB6T21I50
Properties
Complexity:
858
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
662.153g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
663.586g/mol
Monoisotopic Mass:
662.153g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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