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88039-12-7 | Urea, (5,5-diethoxy-2-oxo-3-phenyl-4-imidazolidinylidene)phenyl-
CAS No: 88039-12-7 Catalog No: AG004J6P MDL No:
Product Description
Catalog Number:
AG004J6P
Chemical Name:
Urea, (5,5-diethoxy-2-oxo-3-phenyl-4-imidazolidinylidene)phenyl-
CAS Number:
88039-12-7
Molecular Formula:
C20H22N4O4
Molecular Weight:
382.4131
IUPAC Name:
1-(5,5-diethoxy-2-oxo-3-phenylimidazolidin-4-ylidene)-3-phenylurea
InChI:
InChI=1S/C20H22N4O4/c1-3-27-20(28-4-2)17(22-18(25)21-15-11-7-5-8-12-15)24(19(26)23-20)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H,21,25)(H,23,26)
InChI Key:
WHGMRDCVRRCXBF-UHFFFAOYSA-N
SMILES:
CCOC1(OCC)NC(=O)N(C1=NC(=O)Nc1ccccc1)c1ccccc1
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.164g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
382.42g/mol
Monoisotopic Mass:
382.164g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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