Avatrombopag

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Properties Simple | Detailed

Formula C29H34Cl2N6O3S2
IUPAC Name carbon dioxide; 6-chloro-2h-pyridine-1-carbonitrile; [2-nitroso-5-(4-phenylpyrazine-1,4-diium-1-yl)-5h-thiazol-3-ium-4-yl]methyl thiohypochlorite
Molecular Mass 649.655 g·mol−1
Heat of Formation -249.1 ± 16.7 kJ·mol−1
Dipole Moment 4.52 ± 1.08 D
Volume 713.86 Å 3
Surface Area 589.25 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[3-chloro-5-[[4-(4-chloro-2-thienyl)-5-(4-cyclohexylpiperazin-1-yl)thiazol-2-yl]carbamoyl]-2-pyridyl]isonipecotic acid
  • 1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]piperidine-4-carboxylic acid
  • 1-[3-chloro-5-[[[4-(4-chloro-2-thienyl)-5-(4-cyclohexyl-1-piperazinyl)-2-thiazolyl]amino]-oxomethyl]-2-pyridyl]-4-piperidinecarboxylic acid
InChIKey OFZJKCQENFPZBH-UHFFFAOYSA-N
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