N'-[4-(4-{[(2S)-6-Hydroxy-2,5,7,8-Tetramethyl-3,4-Dihydro-2H-Chromen-2-Yl]Carbonyl}-1-Piperazinyl)Phenyl]-2-Thiophenecarboximidamide

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Properties Simple | Detailed

Formula C29H34N4O3S
IUPAC Name n'-[4-[4-[(2s)-6-hydroxy-2,5,7,8-tetramethyl-chromane-2-carbonyl]piperazin-1-yl]phenyl]thiophene-2-carboxamidine
Molecular Mass 518.670 g·mol−1
Heat of Formation -230.3 ± 16.7 kJ·mol−1
Dipole Moment 2.30 ± 1.08 D
Volume 616.17 Å 3
Surface Area 507.2 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • bn-80933
  • n'-[4-[4-[(2s)-6-hydroxy-2,5,7,8-tetramethyl-chroman-2-carbonyl]piperazin-1-yl]phenyl]thiophene-2-carboxamidine
  • n'-[4-[4-[(2s)-6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl]carbonylpiperazin-1-yl]phenyl]thiophene-2-carboximidamide
  • n'-[4-[4-[(2s)-6-hydroxy-2,5,7,8-tetramethylchroman-2-carbonyl]piperazin-1-yl]phenyl]thiophene-2-carboximidamide
  • n'-[4-[4-[[(2s)-6-hydroxy-2,5,7,8-tetramethyl-2-chromanyl]-oxomethyl]-1-piperazinyl]phenyl]-2-thiophenecarboxamidine
InChIKey STCYUKSGPHEXDI-LJAQVGFWSA-N
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