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88450-80-0 | Urea, N-butyl-N'-(3-methylphenyl)-N'-phenyl-N-(phenylmethyl)-
CAS No: 88450-80-0 Catalog No: AG004EI4 MDL No:
Product Description
Catalog Number:
AG004EI4
Chemical Name:
Urea, N-butyl-N'-(3-methylphenyl)-N'-phenyl-N-(phenylmethyl)-
CAS Number:
88450-80-0
Molecular Formula:
C25H28N2O
Molecular Weight:
372.5026
IUPAC Name:
1-benzyl-1-butyl-3-(3-methylphenyl)-3-phenylurea
InChI:
InChI=1S/C25H28N2O/c1-3-4-18-26(20-22-13-7-5-8-14-22)25(28)27(23-15-9-6-10-16-23)24-17-11-12-21(2)19-24/h5-17,19H,3-4,18,20H2,1-2H3
InChI Key:
UGQIHENCAXFUGC-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)N(c1cccc(c1)C)c1ccccc1)Cc1ccccc1
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.22g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.512g/mol
Monoisotopic Mass:
372.22g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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