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859-69-8 | 3-{[(4-bromophenyl)amino]methyl}-5,5-diphenylimidazolidine-2,4-dione
CAS No: 859-69-8 Catalog No: AG004QBL MDL No:
Product Description
Catalog Number:
AG004QBL
Chemical Name:
3-{[(4-bromophenyl)amino]methyl}-5,5-diphenylimidazolidine-2,4-dione
CAS Number:
859-69-8
Molecular Formula:
C22H18BrN3O2
Molecular Weight:
436.3012
IUPAC Name:
3-[(4-bromoanilino)methyl]-5,5-diphenylimidazolidine-2,4-dione
InChI:
InChI=1S/C22H18BrN3O2/c23-18-11-13-19(14-12-18)24-15-26-20(27)22(25-21(26)28,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,24H,15H2,(H,25,28)
InChI Key:
RBEBHLGVMQWANZ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)NCN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1
NSC Number:
150487
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.058g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
436.309g/mol
Monoisotopic Mass:
435.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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