N-[(1R,2S,5S)-2-{[(5-Chloro-1H-Indol-2-Yl)Carbonyl]Amino}-5-(Dimethylcarbamoyl)Cyclohexyl]-5-Methyl-4,5,6,7-Tetrahydro[1,3]Thiazolo[5,4-C]Pyridine-2-Carboxamide

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Properties Simple | Detailed

Formula C26H31ClN6O3S
IUPAC Name (5r)-n-[(1r,2s,5s)-2-[(5-chloroindol-1-ium-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4h-thiazolo[5,4-c]pyridine-2-carboxamide
Molecular Mass 543.081 g·mol−1
Heat of Formation -292.0 ± 16.7 kJ·mol−1
Dipole Moment 8.22 ± 1.08 D
Volume 624.59 Å 3
Surface Area 535.76 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 1.75 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1r,2s,5s)-2-[(5-chloro-1h-indol-2-yl)carbonylamino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4h-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
  • n-[(1r,2s,5s)-2-[(5-chloro1h-indole-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4h-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
  • n-[(1r,2s,5s)-2-[(5-chloro1h-indole-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4h-thiazolo[5,4-c]pyridine-2-carboxamide
  • n-[(1r,2s,5s)-2-[[(5-chloro-1h-indol-2-yl)-oxomethyl]amino]-5-(dimethylamino-oxomethyl)cyclohexyl]-5-methyl-6,7-dihydro-4h-thiazolo[5,4-c]pyridine-2-carboxamide
InChIKey SZBHQQIIGORYND-ADLFWFRXSA-N
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