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145410-51-1 | Urea, N-(cyclohexylmethyl)-N'-(2,6-diethylphenyl)-N-(4-phenylcyclohexyl)-, trans- (9CI)
CAS No: 145410-51-1 Catalog No: AG001D0V MDL No:
Product Description
Catalog Number:
AG001D0V
Chemical Name:
Urea, N-(cyclohexylmethyl)-N'-(2,6-diethylphenyl)-N-(4-phenylcyclohexyl)-, trans- (9CI)
CAS Number:
145410-51-1
Molecular Formula:
C30H42N2O
Molecular Weight:
446.6673
IUPAC Name:
1-(cyclohexylmethyl)-3-(2,6-diethylphenyl)-1-(4-phenylcyclohexyl)urea
InChI:
InChI=1S/C30H42N2O/c1-3-24-16-11-17-25(4-2)29(24)31-30(33)32(22-23-12-7-5-8-13-23)28-20-18-27(19-21-28)26-14-9-6-10-15-26/h6,9-11,14-17,23,27-28H,3-5,7-8,12-13,18-22H2,1-2H3,(H,31,33)
InChI Key:
JEGOWZPPTDFWFH-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1NC(=O)N([C@@H]1CC[C@H](CC1)c1ccccc1)CC1CCCCC1)CC
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.33g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
446.679g/mol
Monoisotopic Mass:
446.33g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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