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88451-91-6

88451-91-6 | Urea, N-[(4-butylphenyl)methyl]-N'-(4-phenoxyphenyl)-N-(phenylmethyl)-

CAS No: 88451-91-6 Catalog No: AG004GSW MDL No:

Product Description

Catalog Number:
AG004GSW
Chemical Name:
Urea, N-[(4-butylphenyl)methyl]-N'-(4-phenoxyphenyl)-N-(phenylmethyl)-
CAS Number:
88451-91-6
Molecular Formula:
C31H32N2O2
Molecular Weight:
464.5980
IUPAC Name:
1-benzyl-1-[(4-butylphenyl)methyl]-3-(4-phenoxyphenyl)urea
InChI:
InChI=1S/C31H32N2O2/c1-2-3-10-25-15-17-27(18-16-25)24-33(23-26-11-6-4-7-12-26)31(34)32-28-19-21-30(22-20-28)35-29-13-8-5-9-14-29/h4-9,11-22H,2-3,10,23-24H2,1H3,(H,32,34)
InChI Key:
QIUSKIYBFZRTFM-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)CN(C(=O)Nc1ccc(cc1)Oc1ccccc1)Cc1ccccc1

Properties

Complexity:
583  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.246g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
464.609g/mol
Monoisotopic Mass:
464.246g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5  

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