200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 123314-50-1
123314-50-1 | 2(1H)-Isoquinolinecarboxamide, N-(4-chlorophenyl)-1-(1H-indol-3-yl)-
CAS No: 123314-50-1 Catalog No: AG000KBH MDL No:
Product Description
Catalog Number:
AG000KBH
Chemical Name:
2(1H)-Isoquinolinecarboxamide, N-(4-chlorophenyl)-1-(1H-indol-3-yl)-
CAS Number:
123314-50-1
Molecular Formula:
C24H18ClN3O
Molecular Weight:
399.8722
IUPAC Name:
N-(4-chlorophenyl)-1-(1H-indol-3-yl)-1H-isoquinoline-2-carboxamide
InChI:
InChI=1S/C24H18ClN3O/c25-17-9-11-18(12-10-17)27-24(29)28-14-13-16-5-1-2-6-19(16)23(28)21-15-26-22-8-4-3-7-20(21)22/h1-15,23,26H,(H,27,29)
InChI Key:
DVGWCXJTCRVABW-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)NC(=O)N1C=Cc2c(C1c1c[nH]c3c1cccc3)cccc2
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.114g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.878g/mol
Monoisotopic Mass:
399.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.