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167303-74-4 | 2,5-Pyrrolidinedione, 3-(5-bromo-1H-indol-3-yl)-1-(phenylmethyl)-
CAS No: 167303-74-4 Catalog No: AG001XAN MDL No:
Product Description
Catalog Number:
AG001XAN
Chemical Name:
2,5-Pyrrolidinedione, 3-(5-bromo-1H-indol-3-yl)-1-(phenylmethyl)-
CAS Number:
167303-74-4
Molecular Formula:
C19H15BrN2O2
Molecular Weight:
383.2386
IUPAC Name:
1-benzyl-3-(5-bromo-1H-indol-3-yl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C19H15BrN2O2/c20-13-6-7-17-14(8-13)16(10-21-17)15-9-18(23)22(19(15)24)11-12-4-2-1-3-5-12/h1-8,10,15,21H,9,11H2
InChI Key:
WPXJOYCECPNFEV-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(c[nH]2)C1CC(=O)N(C1=O)Cc1ccccc1
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.032g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.245g/mol
Monoisotopic Mass:
382.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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