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88452-10-2 | Urea, N-[(4-butylphenyl)methyl]-N'-(2,4-dichlorophenyl)-N-heptyl-
CAS No: 88452-10-2 Catalog No: AG004IN9 MDL No:
Product Description
Catalog Number:
AG004IN9
Chemical Name:
Urea, N-[(4-butylphenyl)methyl]-N'-(2,4-dichlorophenyl)-N-heptyl-
CAS Number:
88452-10-2
Molecular Formula:
C25H34Cl2N2O
Molecular Weight:
449.4563
IUPAC Name:
1-[(4-butylphenyl)methyl]-3-(2,4-dichlorophenyl)-1-heptylurea
InChI:
InChI=1S/C25H34Cl2N2O/c1-3-5-7-8-9-17-29(19-21-13-11-20(12-14-21)10-6-4-2)25(30)28-24-16-15-22(26)18-23(24)27/h11-16,18H,3-10,17,19H2,1-2H3,(H,28,30)
InChI Key:
BQIRPLYKNRXSMI-UHFFFAOYSA-N
SMILES:
CCCCCCCN(C(=O)Nc1ccc(cc1Cl)Cl)Cc1ccc(cc1)CCCC
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.205g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
449.46g/mol
Monoisotopic Mass:
448.205g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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