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Home > Imidazoles > 29588-08-7
29588-08-7 | 4-Imidazolidinone, 5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-thioxo-, (5S)-
CAS No: 29588-08-7 Catalog No: AG002YTR MDL No:
Product Description
Catalog Number:
AG002YTR
Chemical Name:
4-Imidazolidinone, 5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-thioxo-, (5S)-
CAS Number:
29588-08-7
Molecular Formula:
C16H14N2O2S
Molecular Weight:
298.3596
IUPAC Name:
(5S)-5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C16H14N2O2S/c19-13-8-6-11(7-9-13)10-14-15(20)18(16(21)17-14)12-4-2-1-3-5-12/h1-9,14,19H,10H2,(H,17,21)/t14-/m0/s1
InChI Key:
LCFDDJINTNHAEQ-AWEZNQCLSA-N
SMILES:
Oc1ccc(cc1)C[C@@H]1NC(=S)N(C1=O)c1ccccc1
EC Number:
249-704-1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
298.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.36g/mol
Monoisotopic Mass:
298.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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