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161326-40-5 | 4-Imidazolidinone, 5-methyl-5-phenyl-3-(phenylamino)-2-thioxo-, (5S)-
CAS No: 161326-40-5 Catalog No: AG001SD5 MDL No:
Product Description
Catalog Number:
AG001SD5
Chemical Name:
4-Imidazolidinone, 5-methyl-5-phenyl-3-(phenylamino)-2-thioxo-, (5S)-
CAS Number:
161326-40-5
Molecular Formula:
C16H15N3OS
Molecular Weight:
297.3748
IUPAC Name:
(5S)-3-anilino-5-methyl-5-phenyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C16H15N3OS/c1-16(12-8-4-2-5-9-12)14(20)19(15(21)17-16)18-13-10-6-3-7-11-13/h2-11,18H,1H3,(H,17,21)/t16-/m0/s1
InChI Key:
YCYPMUPLPVCBED-INIZCTEOSA-N
SMILES:
S=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
297.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.376g/mol
Monoisotopic Mass:
297.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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