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88372-70-7 | Urea, N'-butyl-N-phenyl-N-(phenylmethyl)-
CAS No: 88372-70-7 Catalog No: AG004ITC MDL No:
Product Description
Catalog Number:
AG004ITC
Chemical Name:
Urea, N'-butyl-N-phenyl-N-(phenylmethyl)-
CAS Number:
88372-70-7
Molecular Formula:
C18H22N2O
Molecular Weight:
282.3801
IUPAC Name:
1-benzyl-3-butyl-1-phenylurea
InChI:
InChI=1S/C18H22N2O/c1-2-3-14-19-18(21)20(17-12-8-5-9-13-17)15-16-10-6-4-7-11-16/h4-13H,2-3,14-15H2,1H3,(H,19,21)
InChI Key:
VZCVBCIFZVCPDJ-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)N(c1ccccc1)Cc1ccccc1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.387g/mol
Monoisotopic Mass:
282.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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