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88307-62-4 | 4-Thiazolidinone, 3-(1,2-dihydro-5-acenaphthylenyl)-2-methyl-2-phenyl-
CAS No: 88307-62-4 Catalog No: AG00493U MDL No:
Product Description
Catalog Number:
AG00493U
Chemical Name:
4-Thiazolidinone, 3-(1,2-dihydro-5-acenaphthylenyl)-2-methyl-2-phenyl-
CAS Number:
88307-62-4
Molecular Formula:
C22H19NOS
Molecular Weight:
345.4574
IUPAC Name:
3-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenyl-1,3-thiazolidin-4-one
InChI:
InChI=1S/C22H19NOS/c1-22(17-7-3-2-4-8-17)23(20(24)14-25-22)19-13-12-16-11-10-15-6-5-9-18(19)21(15)16/h2-9,12-13H,10-11,14H2,1H3
InChI Key:
SYCKGGBSBWXHHT-UHFFFAOYSA-N
SMILES:
O=C1CSC(N1c1ccc2c3c1cccc3CC2)(C)c1ccccc1
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.119g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.46g/mol
Monoisotopic Mass:
345.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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