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13226-12-5 | 1H-Pyrrole-3-carboxamide, 2-(1-isoquinolinyl)-5-phenyl-
CAS No: 13226-12-5 Catalog No: AG0010GT MDL No:
Product Description
Catalog Number:
AG0010GT
Chemical Name:
1H-Pyrrole-3-carboxamide, 2-(1-isoquinolinyl)-5-phenyl-
CAS Number:
13226-12-5
Molecular Formula:
C20H15N3O
Molecular Weight:
313.3526
IUPAC Name:
2-isoquinolin-1-yl-5-phenyl-1H-pyrrole-3-carboxamide
InChI:
InChI=1S/C20H15N3O/c21-20(24)16-12-17(14-7-2-1-3-8-14)23-19(16)18-15-9-5-4-6-13(15)10-11-22-18/h1-12,23H,(H2,21,24)
InChI Key:
ZGIFFDYYZJUMQC-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc([nH]c1c1nccc2c1cccc2)c1ccccc1
NSC Number:
116648
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.122g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.36g/mol
Monoisotopic Mass:
313.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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