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88456-51-3 | Urea, N-[(4-butylphenyl)methyl]-N-heptyl-N'-(2,4,5-trimethylphenyl)-
CAS No: 88456-51-3 Catalog No: AG004DLA MDL No:
Product Description
Catalog Number:
AG004DLA
Chemical Name:
Urea, N-[(4-butylphenyl)methyl]-N-heptyl-N'-(2,4,5-trimethylphenyl)-
CAS Number:
88456-51-3
Molecular Formula:
C28H42N2O
Molecular Weight:
422.6459
IUPAC Name:
1-[(4-butylphenyl)methyl]-1-heptyl-3-(2,4,5-trimethylphenyl)urea
InChI:
InChI=1S/C28H42N2O/c1-6-8-10-11-12-18-30(21-26-16-14-25(15-17-26)13-9-7-2)28(31)29-27-20-23(4)22(3)19-24(27)5/h14-17,19-20H,6-13,18,21H2,1-5H3,(H,29,31)
InChI Key:
VNZQNFWZDFXVRY-UHFFFAOYSA-N
SMILES:
CCCCCCCN(C(=O)Nc1cc(C)c(cc1C)C)Cc1ccc(cc1)CCCC
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.33g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.657g/mol
Monoisotopic Mass:
422.33g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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