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88307-63-5 | 4-Thiazolidinone, 3-(1,2-dihydro-5-acenaphthylenyl)-2,2-diphenyl-
CAS No: 88307-63-5 Catalog No: AG008A6N MDL No:
Product Description
Catalog Number:
AG008A6N
Chemical Name:
4-Thiazolidinone, 3-(1,2-dihydro-5-acenaphthylenyl)-2,2-diphenyl-
CAS Number:
88307-63-5
Molecular Formula:
C27H21NOS
Molecular Weight:
407.5267
IUPAC Name:
3-(1,2-dihydroacenaphthylen-5-yl)-2,2-diphenyl-1,3-thiazolidin-4-one
InChI:
InChI=1S/C27H21NOS/c29-25-18-30-27(21-9-3-1-4-10-21,22-11-5-2-6-12-22)28(25)24-17-16-20-15-14-19-8-7-13-23(24)26(19)20/h1-13,16-17H,14-15,18H2
InChI Key:
JGIHNDFOVPDHPV-UHFFFAOYSA-N
SMILES:
O=C1CSC(N1c1ccc2c3c1cccc3CC2)(c1ccccc1)c1ccccc1
Properties
Complexity:
619
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.134g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
407.531g/mol
Monoisotopic Mass:
407.134g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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