Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed T   > Triaziridinecarboxaldehyde, 2,3-bis(1-methylethyl)-, (1alpha,2alpha,3alpha)- (9CI)
1209583-41-4 structure

Triaziridinecarboxaldehyde, 2,3-bis(1-methylethyl)-, (1alpha,2alpha,3alpha)- (9CI)

Iupac Name:N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,3-benzothiazole-2-carboxamide
CAS No.:1209583-41-4
Molecular Weight:326.389
Molecular Formula:C34H67O10P.H3N (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C18H15FN2OS/c19-13-7-5-12(6-8-13)18(9-10-18)11-20-16(22)17-21-14-3-1-2-4-15(14)23-17/h1-8H,9-11H2,(H,20,22)
InChkey
WGDMPBMUTCGUAR-UHFFFAOYSA-N
Canonical Smiles
C1CC1(CNC(=O)C2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)F
Computational chemical data
  • Molecular Weight:326.389g/mol
  • Molecular Formula:C34H67O10P.H3N
  • Compound Is Canonicalized:True
  • Exact Mass:326.089
  • Monoisotopic Mass:326.089
  • Complexity:448
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:70.2A^2
  • Heavy Atom Count:23
  • 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: AAADccB7IQBAAAAAAAAAAAAAGAAAAWAAAAAwYAAAAAAAAFgB9AAAHwQQAAAADgjB3gwwwbLIEAis AyVyVACD8KBjCjhImLy4ZJgIYKLgkbGUIAhghgDoyAcQgMAPgAAAAAAAAQAAAAAAAAACAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-25-83697070
  • Fax:86-25-83453275
Recommended Suppliers
  • Tel:86-25-83697070
  • Fax:86-25-83453275
 
<