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88452-33-9 | Urea, N'-(2,4-dimethylphenyl)-N-(1,2-diphenylethyl)-N-(phenylmethyl)-
CAS No: 88452-33-9 Catalog No: AG004DZC MDL No:
Product Description
Catalog Number:
AG004DZC
Chemical Name:
Urea, N'-(2,4-dimethylphenyl)-N-(1,2-diphenylethyl)-N-(phenylmethyl)-
CAS Number:
88452-33-9
Molecular Formula:
C30H30N2O
Molecular Weight:
434.5720
IUPAC Name:
1-benzyl-3-(2,4-dimethylphenyl)-1-(1,2-diphenylethyl)urea
InChI:
InChI=1S/C30H30N2O/c1-23-18-19-28(24(2)20-23)31-30(33)32(22-26-14-8-4-9-15-26)29(27-16-10-5-11-17-27)21-25-12-6-3-7-13-25/h3-20,29H,21-22H2,1-2H3,(H,31,33)
InChI Key:
HUVBFGMXRUTCKD-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)NC(=O)N(C(c1ccccc1)Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.236g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
434.583g/mol
Monoisotopic Mass:
434.236g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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