(2R)-4-[(6-Chloro-2-Naphthyl)Sulfonyl]-1-[(5-Methyl-4,5,6,7-Tetrahydro[1,3]Thiazolo[5,4-C]Pyridin-2-Yl)Carbonyl]-2-Piperazinecarboxamide

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Properties Simple | Detailed

Formula C23H24ClN5O4S2
IUPAC Name (2r,4s)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[(5r)-5-methyl-6,7-dihydro-4h-thiazolo[5,4-c]pyridine-2-carbonyl]piperazine-2-carboxamide
Molecular Mass 534.051 g·mol−1
Heat of Formation -354.8 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 573.8 Å 3
Surface Area 477.1 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.86 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-4-(6-chloronaphthalen-2-yl)sulfonyl-1-(5-methyl6,7-dihydro-4h-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide
  • (2r)-4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(5-methyl-6,7-dihydro-4h-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]piperazine-2-carboxamide
  • (2r)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-(5-methyl6,7-dihydro-4h-thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide
  • (2r)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]piperazine-2-carboxamide
  • (2r)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[(5-methyl-6,7-dihydro-4h-thiazolo[5,4-c]pyridin-2-yl)-oxomethyl]-2-piperazinecarboxamide
  • 1-[6-methyl-4,5,6,7-tetrahydrothiazolo(5,4-c)pyridin-2-yl] carbonyl-2-carbamoyl-4-(6-chloronaphth-2-ylsulphonyl)piperazine
  • d76
InChIKey OVHHNKPYYVQCLN-LJQANCHMSA-N
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