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106689-90-1 | 4-Imidazolidinecarbonitrile, 3-cyclohexyl-5-oxo-1,2-diphenyl-, cis-
CAS No: 106689-90-1 Catalog No: AG007UJ4 MDL No:
Product Description
Catalog Number:
AG007UJ4
Chemical Name:
4-Imidazolidinecarbonitrile, 3-cyclohexyl-5-oxo-1,2-diphenyl-, cis-
CAS Number:
106689-90-1
Molecular Formula:
C22H23N3O
Molecular Weight:
345.4375
IUPAC Name:
(2S,4S)-3-cyclohexyl-5-oxo-1,2-diphenylimidazolidine-4-carbonitrile
InChI:
InChI=1S/C22H23N3O/c23-16-20-22(26)25(19-14-8-3-9-15-19)21(17-10-4-1-5-11-17)24(20)18-12-6-2-7-13-18/h1,3-5,8-11,14-15,18,20-21H,2,6-7,12-13H2/t20-,21-/m0/s1
InChI Key:
ILNNMLFJEHVIMO-SFTDATJTSA-N
SMILES:
N#C[C@@H]1N(C2CCCCC2)[C@@H](N(C1=O)c1ccccc1)c1ccccc1
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
345.184g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.446g/mol
Monoisotopic Mass:
345.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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