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89242-39-7 | 3-Isoquinolinecarboxamide, N-methyl-N-(1-methylpropyl)-1-(2-thienyl)-
CAS No: 89242-39-7 Catalog No: AG0042NU MDL No:
Product Description
Catalog Number:
AG0042NU
Chemical Name:
3-Isoquinolinecarboxamide, N-methyl-N-(1-methylpropyl)-1-(2-thienyl)-
CAS Number:
89242-39-7
Molecular Formula:
C19H20N2OS
Molecular Weight:
324.4399
IUPAC Name:
N-butan-2-yl-N-methyl-1-thiophen-2-ylisoquinoline-3-carboxamide
InChI:
InChI=1S/C19H20N2OS/c1-4-13(2)21(3)19(22)16-12-14-8-5-6-9-15(14)18(20-16)17-10-7-11-23-17/h5-13H,4H2,1-3H3
InChI Key:
NIJJHLBYXZSJPD-UHFFFAOYSA-N
SMILES:
CCC(N(C(=O)c1cc2ccccc2c(n1)c1cccs1)C)C
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.13g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.442g/mol
Monoisotopic Mass:
324.13g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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