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86254-08-2 | 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5,5-diphenyl-imidazolidine-2,4-dione
CAS No: 86254-08-2 Catalog No: AG008EZR MDL No:
Product Description
Catalog Number:
AG008EZR
Chemical Name:
3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5,5-diphenyl-imidazolidine-2,4-dione
CAS Number:
86254-08-2
Molecular Formula:
C25H23N3O2
Molecular Weight:
397.4690
IUPAC Name:
3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione
InChI:
InChI=1S/C25H23N3O2/c29-23-25(21-11-3-1-4-12-21,22-13-5-2-6-14-22)26-24(30)28(23)18-27-16-15-19-9-7-8-10-20(19)17-27/h1-14H,15-18H2,(H,26,30)
InChI Key:
FHDDSLPICMNTJY-UHFFFAOYSA-N
SMILES:
O=C1NC(C(=O)N1CN1CCc2c(C1)cccc2)(c1ccccc1)c1ccccc1
NSC Number:
365744
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.179g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
397.478g/mol
Monoisotopic Mass:
397.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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