Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed W   > W-5915
1184940-46-2 structure

W-5915

Iupac Name:N'-[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide
CAS No.:1184940-46-2
Molecular Weight:364.349
Molecular Formula:C18H18F2N2O4 (isomer)
Names and Identifiers
Synonyms

(alphaS)-3,5-difluoro-alpha-hydroxybenzeneacetic acid 2-(2-ethyl-4-hydroxy-3-methylbenzoyl)hydrazide 3610AH c18h18f2n2o4 DTXSID50735350 EMD638683 (S-Form) emd638683 s-form n'-[(2s)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide SCHEMBL880168 ZINC43206986

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-/m0/s1
InChkey
SSNAPUUWBPZGOY-INIZCTEOSA-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
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==
Recommended Suppliers
  • Tel:86-21-58998985
  • Fax:(86) 21-58955996
Recommended Suppliers
  • Tel:86-21-58998985
  • Fax:(86) 21-58955996
 
<