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Home> Encyclopedia > Hot Product Listed W   > W-5914
1184940-47-3 structure

W-5914

Iupac Name:N'-[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide
CAS No.:1184940-47-3
Molecular Weight:364.349
Molecular Formula:C18H18F2N2O4 (isomer)
Names and Identifiers
Synonyms

(alphaR)-3,5-Difluoro-alpha-hydroxybenzeneacetic acid 2-(2-ethyl-4-hydroxy-3-methylbenzoyl)hydrazide 3609AH DTXSID40735349 EMD638683 (R-Form) emd638683 r-form n'-[(2r)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide SCHEMBL880175 ZINC43206985

Inchi
InChI=1S/C18H18F2N2O4/c1-3-13-9(2)15(23)5-4-14(13)17(25)21-22-18(26)16(24)10-6-11(19)8-12(20)7-10/h4-8,16,23-24H,3H2,1-2H3,(H,21,25)(H,22,26)/t16-/m1/s1
InChkey
SSNAPUUWBPZGOY-MRXNPFEDSA-N
Canonical Smiles
CCC1=C(C=CC(=C1C)O)C(=O)NNC(=O)C(C2=CC(=CC(=C2)F)F)O
Properties
Density
1.363
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:364.349g/mol
  • Molecular Formula:C18H18F2N2O4
  • Compound Is Canonicalized:True
  • Exact Mass:364.123
  • Monoisotopic Mass:364.123
  • Complexity:498
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:98.7A^2
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7OYAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwAYCAAADBShmAoyBoBiAgCI AiFSEAKCAAAkIAIaqAFGDMgKNjKClROAcQBk0BEImYeY3PDOoAADAAAYAABAAAYAADAAAAAAAAAA AA==
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