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102192-59-6 | 9(2H)-Acridinone, 7-chloro-3-(2,4-dichlorophenyl)-1-[(2,6-dimethyl-1-piperidinyl)imino]-1,3,4,10-tetrahydro-10-hydroxy-
CAS No: 102192-59-6 Catalog No: AG0006VM MDL No:
Product Description
Catalog Number:
AG0006VM
Chemical Name:
9(2H)-Acridinone, 7-chloro-3-(2,4-dichlorophenyl)-1-[(2,6-dimethyl-1-piperidinyl)imino]-1,3,4,10-tetrahydro-10-hydroxy-
CAS Number:
102192-59-6
Molecular Formula:
C26H26Cl3N3O2
Molecular Weight:
518.8625
IUPAC Name:
7-chloro-3-(2,4-dichlorophenyl)-1-(2,6-dimethylpiperidin-1-yl)imino-10-hydroxy-3,4-dihydro-2H-acridin-9-one
InChI:
InChI=1S/C26H26Cl3N3O2/c1-14-4-3-5-15(2)31(14)30-22-10-16(19-8-6-18(28)13-21(19)29)11-24-25(22)26(33)20-12-17(27)7-9-23(20)32(24)34/h6-9,12-16,34H,3-5,10-11H2,1-2H3
InChI Key:
RTWDMXQOZFHAKB-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C1CC(=NN2C(C)CCCC2C)c2c(C1)n(O)c1c(c2=O)cc(cc1)Cl
Properties
Complexity:
854
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
517.109g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
518.863g/mol
Monoisotopic Mass:
517.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
6.3
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