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88450-84-4 | Urea, N-butyl-N'-1-naphthalenyl-N'-phenyl-N-(phenylmethyl)-
CAS No: 88450-84-4 Catalog No: AG004EI3 MDL No:
Product Description
Catalog Number:
AG004EI3
Chemical Name:
Urea, N-butyl-N'-1-naphthalenyl-N'-phenyl-N-(phenylmethyl)-
CAS Number:
88450-84-4
Molecular Formula:
C28H28N2O
Molecular Weight:
408.5347
IUPAC Name:
1-benzyl-1-butyl-3-naphthalen-1-yl-3-phenylurea
InChI:
InChI=1S/C28H28N2O/c1-2-3-21-29(22-23-13-6-4-7-14-23)28(31)30(25-17-8-5-9-18-25)27-20-12-16-24-15-10-11-19-26(24)27/h4-20H,2-3,21-22H2,1H3
InChI Key:
ZPZXGIWDJQEXKE-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)N(c1cccc2c1cccc2)c1ccccc1)Cc1ccccc1
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.22g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.545g/mol
Monoisotopic Mass:
408.22g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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