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89446-80-0 | 2-Imidazolidinone, 4-phenyl-1-[2-[(phenylmethyl)thio]ethyl]-
CAS No: 89446-80-0 Catalog No: AG0044F0 MDL No:
Product Description
Catalog Number:
AG0044F0
Chemical Name:
2-Imidazolidinone, 4-phenyl-1-[2-[(phenylmethyl)thio]ethyl]-
CAS Number:
89446-80-0
Molecular Formula:
C18H20N2OS
Molecular Weight:
312.4292
IUPAC Name:
1-(2-benzylsulfanylethyl)-4-phenylimidazolidin-2-one
InChI:
InChI=1S/C18H20N2OS/c21-18-19-17(16-9-5-2-6-10-16)13-20(18)11-12-22-14-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,19,21)
InChI Key:
XGUMBRSYTIFNML-UHFFFAOYSA-N
SMILES:
O=C1NC(CN1CCSCc1ccccc1)c1ccccc1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.13g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.431g/mol
Monoisotopic Mass:
312.13g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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