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Home> Hot Product Listed A   > AKOS004917643
494763-23-4 structure

AKOS004917643

Iupac Name:2-[[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
CAS No.:494763-23-4
Molecular Weight:407.949
Molecular Formula:C14H16N4O2 (isomer)
Names and Identifiers
Synonyms

2-((3-(4-chlorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl)thio)-n-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide 2-{[3-(4-chlorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-n-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide 2-{[3-(4-chlorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]thio}-n-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide F3411-4144 MCULE-8303390284 MOLPORT-010-734-120 ZINC35372994

Inchi
InChI=1S/C17H14ClN3OS3/c18-13-6-4-5-12(9-13)10-23-16-20-21-17(25-16)24-11-15(22)19-14-7-2-1-3-8-14/h1-9H,10-11H2,(H,19,22)
InChkey
XLDRRFYGKDVSFY-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)SCC3=CC(=CC=C3)Cl
Properties
Refractive Index
1.708
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:407.949g/mol
  • Molecular Formula:C14H16N4O2
  • Compound Is Canonicalized:True
  • Exact Mass:406.999
  • Monoisotopic Mass:406.999
  • Complexity:426
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:134A^2
  • Heavy Atom Count:25
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADccB7IABkAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgYYAAAADAqF2CCwwILAAAiu AiVSUACSAQBhBxAIiAAAZogIICLhk5GEIAhglADIyAcQgAAOAAAAIAAAAAAAAABAAAAAAAAAAAAA AA==
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