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138046-43-2 | Urea, N-cycloheptyl-N-(9H-fluoren-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)-
CAS No: 138046-43-2 Catalog No: AG0017WJ MDL No:
Product Description
Catalog Number:
AG0017WJ
Chemical Name:
Urea, N-cycloheptyl-N-(9H-fluoren-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)-
CAS Number:
138046-43-2
Molecular Formula:
C31H36N2O
Molecular Weight:
452.6303
IUPAC Name:
1-cycloheptyl-1-(9H-fluoren-2-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
InChI:
InChI=1S/C31H36N2O/c1-21-16-22(2)30(23(3)17-21)32-31(34)33(27-11-6-4-5-7-12-27)20-24-14-15-29-26(18-24)19-25-10-8-9-13-28(25)29/h8-10,13-18,27H,4-7,11-12,19-20H2,1-3H3,(H,32,34)
InChI Key:
FMLJREWZCZHGGW-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)NC(=O)N(C1CCCCCC1)Cc1ccc2c(c1)Cc1c2cccc1
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.283g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
452.642g/mol
Monoisotopic Mass:
452.283g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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