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88452-39-5 | Urea, N'-(2,4-dimethylphenyl)-N-octyl-N-(phenylmethyl)-
CAS No: 88452-39-5 Catalog No: AG004G8Y MDL No:
Product Description
Catalog Number:
AG004G8Y
Chemical Name:
Urea, N'-(2,4-dimethylphenyl)-N-octyl-N-(phenylmethyl)-
CAS Number:
88452-39-5
Molecular Formula:
C24H34N2O
Molecular Weight:
366.5396
IUPAC Name:
1-benzyl-3-(2,4-dimethylphenyl)-1-octylurea
InChI:
InChI=1S/C24H34N2O/c1-4-5-6-7-8-12-17-26(19-22-13-10-9-11-14-22)24(27)25-23-16-15-20(2)18-21(23)3/h9-11,13-16,18H,4-8,12,17,19H2,1-3H3,(H,25,27)
InChI Key:
DYJLMLFHUUAPES-UHFFFAOYSA-N
SMILES:
CCCCCCCCN(C(=O)Nc1ccc(cc1C)C)Cc1ccccc1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.267g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.549g/mol
Monoisotopic Mass:
366.267g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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