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25962-16-7 | 4-Thiazolidinone, 5-(3-ethyl-2(3H)-benzoxazolylidene)-3-phenyl-2-thioxo-
CAS No: 25962-16-7 Catalog No: AG002R83 MDL No:
Product Description
Catalog Number:
AG002R83
Chemical Name:
4-Thiazolidinone, 5-(3-ethyl-2(3H)-benzoxazolylidene)-3-phenyl-2-thioxo-
CAS Number:
25962-16-7
Molecular Formula:
C18H14N2O2S2
Molecular Weight:
354.4460
IUPAC Name:
(5E)-5-(3-ethyl-1,3-benzoxazol-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C18H14N2O2S2/c1-2-19-13-10-6-7-11-14(13)22-17(19)15-16(21)20(18(23)24-15)12-8-4-3-5-9-12/h3-11H,2H2,1H3/b17-15+
InChI Key:
NZXOOVIFUOKSNY-BMRADRMJSA-N
SMILES:
CCn1c(=C2SC(=S)N(C2=O)c2ccccc2)oc2c1cccc2
EC Number:
247-376-4
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
354.05g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.442g/mol
Monoisotopic Mass:
354.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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