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Home> Hot Product Listed T   > T6425618
35114-09-1 structure

T6425618

CAS No.:35114-09-1
Molecular Weight:442.97978
Molecular Formula:C13H12CLN7 (isomer)
Names and Identifiers
Synonyms

4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)sulfamoyl]-n-[(4-fluorophenyl)methyl]-n-methylbenzamide MCULE-4505178519 MOLPORT-009-600-707 Z31963854 ZINC36393191

Inchi
InChI=1/C28H27N2O.ClH/c1-4-30-26-11-7-9-20-8-6-10-25(27(20)26)28(30)21-12-14-22(15-13-21)29(3)23-16-18-24(19-17-23)31-5-2;/h6-19H,4-5H2,1-3H3;1H/q+1;/p-1
Canonical Smiles
CC[N+]1=C(C2=CC=CC3=C2C1=CC=C3)C4=CC=C(C=C4)N(C)C5=CC=C(C=C5)OCC.[Cl-]
Computational chemical data
  • Molecular Weight:442.97978g/mol
  • Molecular Formula:C13H12CLN7
  • Exact Mass:442.181191
  • Monoisotopic Mass:442.181191
  • Complexity:629
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:15.5
  • Heavy Atom Count:32
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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