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478258-91-2 | (5Z)-3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-[(4H-1,2,4-triazol-4-yl)imino]-1,3-thiazolidin-4-one
CAS No: 478258-91-2 Catalog No: AG00IR3Z MDL No:MFCD02571037
Product Description
Catalog Number:
AG00IR3Z
Chemical Name:
(5Z)-3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-[(4H-1,2,4-triazol-4-yl)imino]-1,3-thiazolidin-4-one
CAS Number:
478258-91-2
Molecular Formula:
C15H15N5O2S
Molecular Weight:
329.3769
MDL Number:
MFCD02571037
IUPAC Name:
3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C15H15N5O2S/c1-3-20-14(21)13(8-11-4-6-12(22-2)7-5-11)23-15(20)18-19-9-16-17-10-19/h4-10H,3H2,1-2H3
InChI Key:
RHWZNMHOADTXOR-UHFFFAOYSA-N
SMILES:
CCN1C(=Nn2cnnc2)S/C(=C\c2ccc(cc2)OC)/C1=O
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.378g/mol
Monoisotopic Mass:
329.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.5
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