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332183-35-4 | 2-Imidazolidinone, 1,5-dimethyl-4-phenyl-3-(phenylethynyl)-, (4R,5S)-
CAS No: 332183-35-4 Catalog No: AG007GQO MDL No:
Product Description
Catalog Number:
AG007GQO
Chemical Name:
2-Imidazolidinone, 1,5-dimethyl-4-phenyl-3-(phenylethynyl)-, (4R,5S)-
CAS Number:
332183-35-4
Molecular Formula:
C19H18N2O
Molecular Weight:
290.3590
IUPAC Name:
(4R,5S)-1,5-dimethyl-4-phenyl-3-(2-phenylethynyl)imidazolidin-2-one
InChI:
InChI=1S/C19H18N2O/c1-15-18(17-11-7-4-8-12-17)21(19(22)20(15)2)14-13-16-9-5-3-6-10-16/h3-12,15,18H,1-2H3/t15-,18-/m0/s1
InChI Key:
QNACKCYLRYOQIZ-YJBOKZPZSA-N
SMILES:
CN1[C@@H](C)[C@H](N(C1=O)C#Cc1ccccc1)c1ccccc1
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
290.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.366g/mol
Monoisotopic Mass:
290.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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