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90069-60-6 | Methanone, (2-hydroxypyrrolo[2,1-a]isoquinoline-1,3-diyl)bis[phenyl-
CAS No: 90069-60-6 Catalog No: AG00H8GN MDL No:
Product Description
Catalog Number:
AG00H8GN
Chemical Name:
Methanone, (2-hydroxypyrrolo[2,1-a]isoquinoline-1,3-diyl)bis[phenyl-
CAS Number:
90069-60-6
Molecular Formula:
C26H17NO3
Molecular Weight:
391.4181
IUPAC Name:
(3-benzoyl-2-hydroxypyrrolo[2,1-a]isoquinolin-1-yl)-phenylmethanone
InChI:
InChI=1S/C26H17NO3/c28-24(18-10-3-1-4-11-18)21-22-20-14-8-7-9-17(20)15-16-27(22)23(26(21)30)25(29)19-12-5-2-6-13-19/h1-16,30H
InChI Key:
GWOAPYUWSUDYFH-UHFFFAOYSA-N
SMILES:
O=C(c1c(O)c(n2c1c1ccccc1cc2)C(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
636
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.121g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
391.426g/mol
Monoisotopic Mass:
391.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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