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Home> Hot Product Listed S   > Spiro[furan-2(3H),3'-[3H]indol]-2'(1'H)-one,1'-methyl-
1213269-23-8 structure

Spiro[furan-2(3H),3'-[3H]indol]-2'(1'H)-one,1'-methyl-

Iupac Name:N-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
CAS No.:1213269-23-8
Molecular Weight:494.98
Molecular Formula:C21H23NO3 (isomer)
Names and Identifiers
Synonyms

1’-METHYL-SPIRO[FURAN-2(3H),3’-[3H]INDOL]-2’(1’H)-ONE

Inchi
InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)
InChkey
ITTRLTNMFYIYPA-UHFFFAOYSA-N
Canonical Smiles
CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC(=C4)NC(=O)C=C)Cl)OC
Properties
Boiling Point
429.865°C at 760 mmHg
Flash Point
124.7°C
Computational chemical data
  • Molecular Weight:494.98g/mol
  • Molecular Formula:C21H23NO3
  • Compound Is Canonicalized:True
  • Exact Mass:494.183
  • Monoisotopic Mass:494.183
  • Complexity:694
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:91.8A^2
  • Heavy Atom Count:35
  • 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: AAADceB7sAAEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAAB0AAAHgIQAAAACA7BkiY/1pfIFACo ADV3dACCiCkxI+AJ2CAvbdiObqPE+dvfPCju1BvY6KeQUAMAAACAAgAAEAAAAQAEAAAgAAAAAAAA AA==
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