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27506-80-5 | 2,4-Imidazolidinedione, 1,3-bis[(acetyloxy)methyl]-5,5-diphenyl-
CAS No: 27506-80-5 Catalog No: AG002TYY MDL No:
Product Description
Catalog Number:
AG002TYY
Chemical Name:
2,4-Imidazolidinedione, 1,3-bis[(acetyloxy)methyl]-5,5-diphenyl-
CAS Number:
27506-80-5
Molecular Formula:
C21H20N2O6
Molecular Weight:
396.3933
IUPAC Name:
[3-(acetyloxymethyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]methyl acetate
InChI:
InChI=1S/C21H20N2O6/c1-15(24)28-13-22-19(26)21(17-9-5-3-6-10-17,18-11-7-4-8-12-18)23(20(22)27)14-29-16(2)25/h3-12H,13-14H2,1-2H3
InChI Key:
AQFJQENRDDSDQY-UHFFFAOYSA-N
SMILES:
CC(=O)OCN1C(=O)N(C(C1=O)(c1ccccc1)c1ccccc1)COC(=O)C
NSC Number:
197054
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.132g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.399g/mol
Monoisotopic Mass:
396.132g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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