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89242-27-3 | 3-Isoquinolinecarboxamide, 1-(2-chlorophenyl)-N-cyclohexyl-N-methyl-
CAS No: 89242-27-3 Catalog No: AG00889M MDL No:
Product Description
Catalog Number:
AG00889M
Chemical Name:
3-Isoquinolinecarboxamide, 1-(2-chlorophenyl)-N-cyclohexyl-N-methyl-
CAS Number:
89242-27-3
Molecular Formula:
C23H23ClN2O
Molecular Weight:
378.8945
IUPAC Name:
1-(2-chlorophenyl)-N-cyclohexyl-N-methylisoquinoline-3-carboxamide
InChI:
InChI=1S/C23H23ClN2O/c1-26(17-10-3-2-4-11-17)23(27)21-15-16-9-5-6-12-18(16)22(25-21)19-13-7-8-14-20(19)24/h5-9,12-15,17H,2-4,10-11H2,1H3
InChI Key:
AKCGLLSNHQAHJT-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1cc2ccccc2c(n1)c1ccccc1Cl)C1CCCCC1
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.15g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.9g/mol
Monoisotopic Mass:
378.15g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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