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887145-47-3 | 1H-Pyrrole-2,5-dione, 3-(5-bromo-1H-indol-3-yl)-4-(1H-indazol-3-yl)-
CAS No: 887145-47-3 Catalog No: AG0045UC MDL No:
Product Description
Catalog Number:
AG0045UC
Chemical Name:
1H-Pyrrole-2,5-dione, 3-(5-bromo-1H-indol-3-yl)-4-(1H-indazol-3-yl)-
CAS Number:
887145-47-3
Molecular Formula:
C19H11BrN4O2
Molecular Weight:
407.2202
IUPAC Name:
3-(5-bromo-1H-indol-3-yl)-4-(1H-indazol-3-yl)pyrrole-2,5-dione
InChI:
InChI=1S/C19H11BrN4O2/c20-9-5-6-13-11(7-9)12(8-21-13)15-16(19(26)22-18(15)25)17-10-3-1-2-4-14(10)23-24-17/h1-8,21H,(H,23,24)(H,22,25,26)
InChI Key:
LUIFHZIKRIRMRW-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(c[nH]2)C1=C(C(=O)NC1=O)c1n[nH]c2c1cccc2
Properties
Complexity:
666
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.007g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
407.227g/mol
Monoisotopic Mass:
406.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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