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20958-82-1

20958-82-1 | Pyrrolo[2,1-a]isoquinoline-2-carboxamide, 1,3-diphenyl-

CAS No: 20958-82-1 Catalog No: AG002KBK MDL No:

Product Description

Catalog Number:
AG002KBK
Chemical Name:
Pyrrolo[2,1-a]isoquinoline-2-carboxamide, 1,3-diphenyl-
CAS Number:
20958-82-1
Molecular Formula:
C25H18N2O
Molecular Weight:
362.4232
IUPAC Name:
1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxamide
InChI:
InChI=1S/C25H18N2O/c26-25(28)22-21(18-10-3-1-4-11-18)24-20-14-8-7-9-17(20)15-16-27(24)23(22)19-12-5-2-6-13-19/h1-16H,(H2,26,28)
InChI Key:
YOEPZPNFIZZEDI-UHFFFAOYSA-N
SMILES:
NC(=O)c1c(c2ccccc2)n2c(c1c1ccccc1)c1ccccc1cc2
NSC Number:
131476

Properties

Complexity:
551  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.142g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
362.432g/mol
Monoisotopic Mass:
362.142g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9  

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