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triethoxy-[3-(3-triethoxysilylpropyldisulfanyl)propyl]silane structure
triethoxy-[3-(3-triethoxysilylpropyldisulfanyl)propyl]silane structure

triethoxy-[3-(3-triethoxysilylpropyldisulfanyl)propyl]silane

Iupac Name:3-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CAS No.:1802326-66-4
Molecular Weight:316.785
1. Names and Identifiers
1.1 Name
triethoxy-[3-(3-triethoxysilylpropyldisulfanyl)propyl]silane
1.2 CAS No.
1802326-66-4
1.3 CID
2548547
1.4 Molecular Formula
C2H2CL2F2SI (isomer)
1.5 Inchi
InChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1
1.6 InChkey
MWDVCHRYCKXEBY-LBPRGKRZSA-N
1.7 Canonical Smiles
CC(C1=CC=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)Cl
1.8 Isomers Smiles
C[C@@H](C1=CC=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)Cl
2. 3D Conformer
3. Properties
3.1 Appearance
Yellowish clear liquid
3.2 Solubility
soluble easily in ethyl alcohol, acetone, benzene, toluene and chlorohydrocarbon
4. Computational chemical data
  • Molecular Weight:316.785g/mol
  • Molecular Formula:C2H2CL2F2SI
  • Compound Is Canonicalized:True
  • Exact Mass:316.098
  • Monoisotopic Mass:316.098
  • Complexity:383
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:58.2A^2
  • Heavy Atom Count:22
  • 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: AAADceB7MAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgIQAAAADCrBmCQyAILAAACI AiFSEACCAAAkBQAIiIGIBsgIYDKBlzGUIQhglgCIiYcYiICOAAAAIAAAAAAAAABAAAAAAAAAAAAA AA==
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