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88421-14-1 | Urea, N'-[2-(6-oxo-3-phenyl-1(6H)-pyridazinyl)ethyl]-N,N-diphenyl-
CAS No: 88421-14-1 Catalog No: AG004HU4 MDL No:
Product Description
Catalog Number:
AG004HU4
Chemical Name:
Urea, N'-[2-(6-oxo-3-phenyl-1(6H)-pyridazinyl)ethyl]-N,N-diphenyl-
CAS Number:
88421-14-1
Molecular Formula:
C25H22N4O2
Molecular Weight:
410.4678
IUPAC Name:
3-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1,1-diphenylurea
InChI:
InChI=1S/C25H22N4O2/c30-24-17-16-23(20-10-4-1-5-11-20)27-28(24)19-18-26-25(31)29(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17H,18-19H2,(H,26,31)
InChI Key:
MFDKIONNQCLHDM-UHFFFAOYSA-N
SMILES:
O=C(N(c1ccccc1)c1ccccc1)NCCn1nc(ccc1=O)c1ccccc1
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.174g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
410.477g/mol
Monoisotopic Mass:
410.174g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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