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89242-33-1 | 3-Isoquinolinecarboxamide, 7-chloro-1-(2-chlorophenyl)-N,N-diethyl-
CAS No: 89242-33-1 Catalog No: AG004493 MDL No:
Product Description
Catalog Number:
AG004493
Chemical Name:
3-Isoquinolinecarboxamide, 7-chloro-1-(2-chlorophenyl)-N,N-diethyl-
CAS Number:
89242-33-1
Molecular Formula:
C20H18Cl2N2O
Molecular Weight:
373.2757
IUPAC Name:
7-chloro-1-(2-chlorophenyl)-N,N-diethylisoquinoline-3-carboxamide
InChI:
InChI=1S/C20H18Cl2N2O/c1-3-24(4-2)20(25)18-11-13-9-10-14(21)12-16(13)19(23-18)15-7-5-6-8-17(15)22/h5-12H,3-4H2,1-2H3
InChI Key:
DOXMHOVUJBKKRK-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1cc2ccc(cc2c(n1)c1ccccc1Cl)Cl)CC
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.08g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.277g/mol
Monoisotopic Mass:
372.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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