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478258-93-4 | 5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-[(4H-1,2,4-triazol-4-yl)imino]-1,3-thiazolidin-4-one
CAS No: 478258-93-4 Catalog No: AG00IR40 MDL No:MFCD02571038
Product Description
Catalog Number:
AG00IR40
Chemical Name:
5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-[(4H-1,2,4-triazol-4-yl)imino]-1,3-thiazolidin-4-one
CAS Number:
478258-93-4
Molecular Formula:
C19H15N5O2S
Molecular Weight:
377.4197
MDL Number:
MFCD02571038
IUPAC Name:
(2Z,5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C19H15N5O2S/c1-26-16-9-7-14(8-10-16)11-17-18(25)24(15-5-3-2-4-6-15)19(27-17)22-23-12-20-21-13-23/h2-13H,1H3/b17-11-,22-19-
InChI Key:
UUESAUCHRVNZLY-BBBBUXBTSA-N
SMILES:
COc1ccc(cc1)C=C1SC(=Nn2cnnc2)N(C1=O)c1ccccc1
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
377.095g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.422g/mol
Monoisotopic Mass:
377.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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