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Home > Fluorides > 306737-48-4
306737-48-4 | (6-Ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-2,3-dithia-5-aza-cyclopenta[a]naphthalen-5-yl)-(4-fluoro-phenyl)-methanone
CAS No: 306737-48-4 Catalog No: AG01EUTO MDL No:
Product Description
Catalog Number:
AG01EUTO
Chemical Name:
(6-Ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-2,3-dithia-5-aza-cyclopenta[a]naphthalen-5-yl)-(4-fluoro-phenyl)-methanone
CAS Number:
306737-48-4
Molecular Formula:
C21H18FNO2S3
Molecular Weight:
431.5665
IUPAC Name:
(6-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(4-fluorophenyl)methanone
InChI:
InChI=1S/C21H18FNO2S3/c1-4-25-15-7-5-6-14-16-18(27-28-20(16)26)21(2,3)23(17(14)15)19(24)12-8-10-13(22)11-9-12/h5-11H,4H2,1-3H3
InChI Key:
FRZCTJBAKHMZMC-UHFFFAOYSA-N
SMILES:
CCOc1cccc2c1N(C(=O)c1ccc(cc1)F)C(c1c2c(=S)ss1)(C)C
Properties
Complexity:
687
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.048g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.558g/mol
Monoisotopic Mass:
431.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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