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919363-05-6 | 1-Naphthalenecarboxamide, 6-(5-isoquinolinyl)-N-2-thiazolyl-
CAS No: 919363-05-6 Catalog No: AG0066R4 MDL No:
Product Description
Catalog Number:
AG0066R4
Chemical Name:
1-Naphthalenecarboxamide, 6-(5-isoquinolinyl)-N-2-thiazolyl-
CAS Number:
919363-05-6
Molecular Formula:
C23H15N3OS
Molecular Weight:
381.4497
IUPAC Name:
6-isoquinolin-5-yl-N-(1,3-thiazol-2-yl)naphthalene-1-carboxamide
InChI:
InChI=1S/C23H15N3OS/c27-22(26-23-25-11-12-28-23)21-6-1-3-15-13-16(7-8-19(15)21)18-5-2-4-17-14-24-10-9-20(17)18/h1-14H,(H,25,26,27)
InChI Key:
LFJAAFHDJVOEPW-UHFFFAOYSA-N
SMILES:
O=C(c1cccc2c1ccc(c2)c1cccc2c1ccnc2)Nc1nccs1
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.094g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
381.453g/mol
Monoisotopic Mass:
381.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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