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115859-61-5 | 1-Propanone, 2-(2-imidazolidinylidene)-1-(4-methoxyphenyl)-3-phenyl-
CAS No: 115859-61-5 Catalog No: AG000GZT MDL No:
Product Description
Catalog Number:
AG000GZT
Chemical Name:
1-Propanone, 2-(2-imidazolidinylidene)-1-(4-methoxyphenyl)-3-phenyl-
CAS Number:
115859-61-5
Molecular Formula:
C19H20N2O2
Molecular Weight:
308.3743
IUPAC Name:
2-imidazolidin-2-ylidene-1-(4-methoxyphenyl)-3-phenylpropan-1-one
InChI:
InChI=1S/C19H20N2O2/c1-23-16-9-7-15(8-10-16)18(22)17(19-20-11-12-21-19)13-14-5-3-2-4-6-14/h2-10,20-21H,11-13H2,1H3
InChI Key:
AWEHZMZXQKBUCT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C(=C1NCCN1)Cc1ccccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.381g/mol
Monoisotopic Mass:
308.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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