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88451-86-9 | Urea, N-butyl-N-[[4-(heptyloxy)phenyl]methyl]-N'-(2,4,6-trimethylphenyl)-
CAS No: 88451-86-9 Catalog No: AG004GSY MDL No:
Product Description
Catalog Number:
AG004GSY
Chemical Name:
Urea, N-butyl-N-[[4-(heptyloxy)phenyl]methyl]-N'-(2,4,6-trimethylphenyl)-
CAS Number:
88451-86-9
Molecular Formula:
C28H42N2O2
Molecular Weight:
438.6453
IUPAC Name:
1-butyl-1-[(4-heptoxyphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea
InChI:
InChI=1S/C28H42N2O2/c1-6-8-10-11-12-18-32-26-15-13-25(14-16-26)21-30(17-9-7-2)28(31)29-27-23(4)19-22(3)20-24(27)5/h13-16,19-20H,6-12,17-18,21H2,1-5H3,(H,29,31)
InChI Key:
NRSZJSHXROTIHT-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)Nc1c(C)cc(cc1C)C)Cc1ccc(cc1)OCCCCCCC
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.325g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
438.656g/mol
Monoisotopic Mass:
438.325g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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