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Home > Indoles and Oxindole > 887145-31-5
887145-31-5 | 1H-Pyrrole-2,5-dione, 3-(1H-indazol-3-yl)-4-(1-methyl-1H-indol-3-yl)-
CAS No: 887145-31-5 Catalog No: AG0046ZA MDL No:
Product Description
Catalog Number:
AG0046ZA
Chemical Name:
1H-Pyrrole-2,5-dione, 3-(1H-indazol-3-yl)-4-(1-methyl-1H-indol-3-yl)-
CAS Number:
887145-31-5
Molecular Formula:
C20H14N4O2
Molecular Weight:
342.3508
IUPAC Name:
3-(1H-indazol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
InChI:
InChI=1S/C20H14N4O2/c1-24-10-13(11-6-3-5-9-15(11)24)16-17(20(26)21-19(16)25)18-12-7-2-4-8-14(12)22-23-18/h2-10H,1H3,(H,22,23)(H,21,25,26)
InChI Key:
HFTMOOWPWJALNN-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=C1c1n[nH]c2c1cccc2)c1cn(c2c1cccc2)C
Properties
Complexity:
660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.112g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.358g/mol
Monoisotopic Mass:
342.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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