(3S)-2-(7-Chloro-1,8-Naphthyridin-2-Yl)-3-[2-(1,4-Dioxa-8-Azaspiro[4.5]Dec-8-Yl)-2-Oxoethyl]-1-Isoindolinone

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Properties Simple | Detailed

Formula C23H28ClN4O4
IUPAC Name (3s)-2-(2-amino-3-methyl-3h-pyridin-1-ium-6-yl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-ethyl]isoindolin-1-one chloride
Molecular Mass 459.946 g·mol−1
Heat of Formation -319.6 ± 16.7 kJ·mol−1
Dipole Moment 9.07 ± 1.08 D
Volume 529.94 Å 3
Surface Area 395.6 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 1.74 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-keto-ethyl]isoindolin-1-one
  • (3s)-2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-ethyl]-3h-isoindol-1-one
  • (3s)-2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-ethyl]isoindolin-1-one
  • (3s)-2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1-isoindolinone
  • (3s)-2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3h-isoindol-1-one
InChIKey DPGKFACWOCLTCA-IBGZPJMESA-N
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Elements H C N O Cl