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149358-54-3 | Urea, N,N''-(2-methyl-1,3-phenylene)bis[N'-phenyl-
CAS No: 149358-54-3 Catalog No: AG001LM6 MDL No:
Product Description
Catalog Number:
AG001LM6
Chemical Name:
Urea, N,N''-(2-methyl-1,3-phenylene)bis[N'-phenyl-
CAS Number:
149358-54-3
Molecular Formula:
C21H20N4O2
Molecular Weight:
360.4091
IUPAC Name:
1-[2-methyl-3-(phenylcarbamoylamino)phenyl]-3-phenylurea
InChI:
InChI=1S/C21H20N4O2/c1-15-18(24-20(26)22-16-9-4-2-5-10-16)13-8-14-19(15)25-21(27)23-17-11-6-3-7-12-17/h2-14H,1H3,(H2,22,24,26)(H2,23,25,27)
InChI Key:
MZAGJFHIXUGZHJ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)Nc1cccc(c1C)NC(=O)Nc1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.159g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
360.417g/mol
Monoisotopic Mass:
360.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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