Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 2   > 2-Butanone,3-[[3-[[2-(hydroxyimino)-1,1-dimethylpropyl]amino]propyl]amino]-3-methyl-1-(2-nitro-1H-im...
1207605-33-1 structure

2-Butanone,3-[[3-[[2-(hydroxyimino)-1,1-dimethylpropyl]amino]propyl]amino]-3-methyl-1-(2-nitro-1H-imidazol-1-yl)-,oxime

Iupac Name:5-methyl-3-[3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,2-oxazole
CAS No.:1207605-33-1
Molecular Weight:304.372
Molecular Formula:C16H13CLO2 (isomer)
Names and Identifiers
Synonyms

BMS 181032

Inchi
InChI=1S/C13H16N6OS/c1-9-7-10(17-20-9)12-16-19-11(14-15-13(19)21-12)8-18-5-3-2-4-6-18/h7H,2-6,8H2,1H3
InChkey
HVDXFNPHHWLDCC-UHFFFAOYSA-N
Canonical Smiles
CC1=CC(=NO1)C2=NN3C(=NN=C3S2)CN4CCCCC4
Properties
Density
1.519
Flash Point
58.1°C
Computational chemical data
  • Molecular Weight:304.372g/mol
  • Molecular Formula:C16H13CLO2
  • Compound Is Canonicalized:True
  • Exact Mass:304.111
  • Monoisotopic Mass:304.111
  • Complexity:369
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:101A^2
  • Heavy Atom Count:21
  • 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: AAADceBzoABAAAAAAAAAAAAAAAAAAWLFgAAsAAAAAAAWAAAB+AAAHgQMAAAACAzB1wQzlJcYEAiv AaZyZgCQ0ItkIrg1GCE+bFqAbpogiZMUEYBmCBqISUI0AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
<