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Home > Fluorides > 102565-09-3
102565-09-3 | Benzo[b]thiophene-2-carboxamide, 3-hydroxy-N-[2-phenyl-2-(2-thienyl)ethenyl]-5-(trifluoromethyl)-, (E)- (9CI)
CAS No: 102565-09-3 Catalog No: AG0007QF MDL No:
Product Description
Catalog Number:
AG0007QF
Chemical Name:
Benzo[b]thiophene-2-carboxamide, 3-hydroxy-N-[2-phenyl-2-(2-thienyl)ethenyl]-5-(trifluoromethyl)-, (E)- (9CI)
CAS Number:
102565-09-3
Molecular Formula:
C22H14F3NO2S2
Molecular Weight:
445.4773
IUPAC Name:
3-hydroxy-N-(2-phenyl-2-thiophen-2-ylethenyl)-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C22H14F3NO2S2/c23-22(24,25)14-8-9-18-15(11-14)19(27)20(30-18)21(28)26-12-16(17-7-4-10-29-17)13-5-2-1-3-6-13/h1-12,27H,(H,26,28)
InChI Key:
MWRHQMNEBAXDOF-UHFFFAOYSA-N
SMILES:
O=C(c1sc2c(c1O)cc(cc2)C(F)(F)F)N/C=C(/c1cccs1)\c1ccccc1
Properties
Complexity:
651
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.042g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
445.474g/mol
Monoisotopic Mass:
445.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.2
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