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88051-58-5 | 4-Oxazolidinone, 3-(1-methylethyl)-5,5-diphenyl-2-thioxo-
CAS No: 88051-58-5 Catalog No: AG004LOL MDL No:
Product Description
Catalog Number:
AG004LOL
Chemical Name:
4-Oxazolidinone, 3-(1-methylethyl)-5,5-diphenyl-2-thioxo-
CAS Number:
88051-58-5
Molecular Formula:
C18H17NO2S
Molecular Weight:
311.3981
IUPAC Name:
5,5-diphenyl-3-propan-2-yl-2-sulfanylidene-1,3-oxazolidin-4-one
InChI:
InChI=1S/C18H17NO2S/c1-13(2)19-16(20)18(21-17(19)22,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3
InChI Key:
HJMVYYBDPHTZGT-UHFFFAOYSA-N
SMILES:
CC(N1C(=S)OC(C1=O)(c1ccccc1)c1ccccc1)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.098g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.399g/mol
Monoisotopic Mass:
311.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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