200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 312314-11-7
312314-11-7 | 5-{[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CAS No: 312314-11-7 Catalog No: AG01F2LD MDL No:
Product Description
Catalog Number:
AG01F2LD
Chemical Name:
5-{[3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CAS Number:
312314-11-7
Molecular Formula:
C20H14FN3OS2
Molecular Weight:
395.4731
IUPAC Name:
(5Z)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C20H14FN3OS2/c1-23-19(25)17(27-20(23)26)11-14-12-24(16-5-3-2-4-6-16)22-18(14)13-7-9-15(21)10-8-13/h2-12H,1H3/b17-11-
InChI Key:
KLCBPUHSDVOQSZ-BOPFTXTBSA-N
SMILES:
Fc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C)c1ccccc1
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
395.056g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.47g/mol
Monoisotopic Mass:
395.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.