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88307-56-6 | 4-Thiazolidinone, 3-(1,2-dihydro-5-acenaphthylenyl)-2-phenyl-
CAS No: 88307-56-6 Catalog No: AG00493V MDL No:
Product Description
Catalog Number:
AG00493V
Chemical Name:
4-Thiazolidinone, 3-(1,2-dihydro-5-acenaphthylenyl)-2-phenyl-
CAS Number:
88307-56-6
Molecular Formula:
C21H17NOS
Molecular Weight:
331.4308
IUPAC Name:
3-(1,2-dihydroacenaphthylen-5-yl)-2-phenyl-1,3-thiazolidin-4-one
InChI:
InChI=1S/C21H17NOS/c23-19-13-24-21(16-5-2-1-3-6-16)22(19)18-12-11-15-10-9-14-7-4-8-17(18)20(14)15/h1-8,11-12,21H,9-10,13H2
InChI Key:
OTYFVEIIRPIEOJ-UHFFFAOYSA-N
SMILES:
O=C1CSC(N1c1ccc2c3c1cccc3CC2)c1ccccc1
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.103g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.433g/mol
Monoisotopic Mass:
331.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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