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88307-57-7 | 4-Thiazolidinone, 3-(1,2-dihydro-5-acenaphthylenyl)-2-(4-methylphenyl)-
CAS No: 88307-57-7 Catalog No: AG0048N3 MDL No:
Product Description
Catalog Number:
AG0048N3
Chemical Name:
4-Thiazolidinone, 3-(1,2-dihydro-5-acenaphthylenyl)-2-(4-methylphenyl)-
CAS Number:
88307-57-7
Molecular Formula:
C22H19NOS
Molecular Weight:
345.4574
IUPAC Name:
3-(1,2-dihydroacenaphthylen-5-yl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C22H19NOS/c1-14-5-7-17(8-6-14)22-23(20(24)13-25-22)19-12-11-16-10-9-15-3-2-4-18(19)21(15)16/h2-8,11-12,22H,9-10,13H2,1H3
InChI Key:
BDSIWAYDLSEBHS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1SCC(=O)N1c1ccc2c3c1cccc3CC2
Properties
Complexity:
514
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:
5.3
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