Tcmdc-125885

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Properties Simple | Detailed

Formula C32H34Cl2N4O4S
IUPAC Name (3z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3,5-dimethyl-4-[(2r)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]pyrrol-1-ium-5-ylium-2-yl]methylene]indolin-2-one
Molecular Mass 641.608 g·mol−1
Heat of Formation -459.8 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 725.99 Å 3
Surface Area 574.38 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
Synonyms
  • (3z)-5-(2,6-dichlorobenzyl)sulfonyl-3-[[3,5-dimethyl-4-[(2r)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1h-pyrrol-2-yl]methylene]oxindole
  • (3z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3,5-dimethyl-4-[(2r)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl-1h-pyrrol-2-yl]methylidene]-1h-indol-2-one
  • (3z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3,5-dimethyl-4-[(2r)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1h-pyrrol-2-yl]methylene]indolin-2-one
  • (3z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3,5-dimethyl-4-[(2r)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1h-pyrrol-2-yl]methylidene]-1h-indol-2-one
  • (3z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3,5-dimethyl-4-[oxo-[(2r)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl]-1h-pyrrol-2-yl]methylene]-2-indolinone
  • pha-665752
InChIKey OYONTEXKYJZFHA-SSHUPFPWSA-N
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