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66948-21-8 | 1-(2-cyanocyclohexyl)-2-(isoquinolin-1-ylmethyl)cyclohexane-1-carbonitrile
CAS No: 66948-21-8 Catalog No: AG006NDS MDL No:
Product Description
Catalog Number:
AG006NDS
Chemical Name:
1-(2-cyanocyclohexyl)-2-(isoquinolin-1-ylmethyl)cyclohexane-1-carbonitrile
CAS Number:
66948-21-8
Molecular Formula:
C24H27N3
Molecular Weight:
357.4913
IUPAC Name:
1-(2-cyanocyclohexyl)-2-(isoquinolin-1-ylmethyl)cyclohexane-1-carbonitrile
InChI:
InChI=1S/C24H27N3/c25-16-19-8-2-4-11-22(19)24(17-26)13-6-5-9-20(24)15-23-21-10-3-1-7-18(21)12-14-27-23/h1,3,7,10,12,14,19-20,22H,2,4-6,8-9,11,13,15H2
InChI Key:
XJWAPHCGDAHZIG-UHFFFAOYSA-N
SMILES:
N#CC1CCCCC1C1(C#N)CCCCC1Cc1nccc2c1cccc2
NSC Number:
278008
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.22g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.501g/mol
Monoisotopic Mass:
357.22g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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