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37138-05-9 | Isoquinoline, 1,1'-(1-methyl-1H-pyrrole-2,5-diyl)bis[2-acetyl-1,2-dihydro-
CAS No: 37138-05-9 Catalog No: AG007AGS MDL No:
Product Description
Catalog Number:
AG007AGS
Chemical Name:
Isoquinoline, 1,1'-(1-methyl-1H-pyrrole-2,5-diyl)bis[2-acetyl-1,2-dihydro-
CAS Number:
37138-05-9
Molecular Formula:
C27H25N3O2
Molecular Weight:
423.5063
IUPAC Name:
1-[1-[5-(2-acetyl-1H-isoquinolin-1-yl)-1-methylpyrrol-2-yl]-1H-isoquinolin-2-yl]ethanone
InChI:
InChI=1S/C27H25N3O2/c1-18(31)29-16-14-20-8-4-6-10-22(20)26(29)24-12-13-25(28(24)3)27-23-11-7-5-9-21(23)15-17-30(27)19(2)32/h4-17,26-27H,1-3H3
InChI Key:
KZLJIYBWDGLZPG-UHFFFAOYSA-N
SMILES:
CC(=O)N1C=Cc2c(C1c1ccc(n1C)C1N(C=Cc3c1cccc3)C(=O)C)cccc2
Properties
Complexity:
728
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.195g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
423.516g/mol
Monoisotopic Mass:
423.195g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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