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144128-42-7

144128-42-7 | 9(2H)-Acridinone, 7-chloro-3-(3,4-dichlorophenyl)-1-[(1-ethyl-3-piperidinyl)imino]-1,3,4,10-tetrahydro-10-hydroxy-

CAS No: 144128-42-7 Catalog No: AG001IZC MDL No:

Product Description

Catalog Number:
AG001IZC
Chemical Name:
9(2H)-Acridinone, 7-chloro-3-(3,4-dichlorophenyl)-1-[(1-ethyl-3-piperidinyl)imino]-1,3,4,10-tetrahydro-10-hydroxy-
CAS Number:
144128-42-7
Molecular Formula:
C26H26Cl3N3O2
Molecular Weight:
518.8625
IUPAC Name:
7-chloro-3-(3,4-dichlorophenyl)-1-(1-ethylpiperidin-3-yl)imino-10-hydroxy-3,4-dihydro-2H-acridin-9-one
InChI:
InChI=1S/C26H26Cl3N3O2/c1-2-31-9-3-4-18(14-31)30-22-11-16(15-5-7-20(28)21(29)10-15)12-24-25(22)26(33)19-13-17(27)6-8-23(19)32(24)34/h5-8,10,13,16,18,34H,2-4,9,11-12,14H2,1H3
InChI Key:
YAYGKGUWCYVNQE-UHFFFAOYSA-N
SMILES:
CCN1CCCC(C1)N=C1CC(Cc2c1c(=O)c1cc(Cl)ccc1n2O)c1ccc(c(c1)Cl)Cl

Properties

Complexity:
849  
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:
3  
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  

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