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Home> Hot Product Listed 1   > [1-(4-CHLORO-BENZYL)-2-METHYL-1H-INDOL-3-YL]-METHANOL
1100750-73-9 structure

[1-(4-CHLORO-BENZYL)-2-METHYL-1H-INDOL-3-YL]-METHANOL

Iupac Name:methyl 2-[1,1,1,3,3,3-hexadeuterio-2-(phenylmethoxycarbonylamino)propan-2-yl]-5-hydroxy-4-oxo-1H-pyrimidine-6-carboxylate
CAS No.:1100750-73-9
Molecular Weight:367.391
Molecular Formula:C24H19N3O11S3.3NA (isomer)
Names and Identifiers
Synonyms

1-[(4-CHLOROPHENYL)METHYL]-2-METHYL-1H-INDOLE-3-METHANOL 1H-INDOLE-3-METHANOL, 1-[(4-CHLOROPHENYL)METHYL]-2-METHYL-

Inchi
InChI=1S/C17H19N3O6/c1-17(2,20-16(24)26-9-10-7-5-4-6-8-10)15-18-11(14(23)25-3)12(21)13(22)19-15/h4-8,21H,9H2,1-3H3,(H,20,24)(H,18,19,22)/i1D3,2D3
InChkey
NIVUTAZNLHLBAN-WFGJKAKNSA-N
Canonical Smiles
CC(C)(C1=NC(=O)C(=C(N1)C(=O)OC)O)NC(=O)OCC2=CC=CC=C2
Properties
Boiling Point
534.4°C at 760 mmHg
Computational chemical data
  • Molecular Weight:367.391g/mol
  • Molecular Formula:C24H19N3O11S3.3NA
  • Compound Is Canonicalized:True
  • Exact Mass:367.165
  • Monoisotopic Mass:367.165
  • Complexity:647
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:126A^2
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:6
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAAABAAAAHgAQCAAADIyhmAIzCILABgCo AifyfAKCAAEgIAAJiADgCMkKZiKAOTidMAAk1AGYqUeAwCAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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