(2R)-2-Amino-1-[(8S)-8-(Cyclohexylmethyl)-2-Phenyl-5,6-Dihydroimidazo[1,2-A]Pyrazin-7(8H)-Yl]-3-Sulfanyl-1-Propanone

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Properties Simple | Detailed

Formula C22H30N4OS
IUPAC Name (2r)-2-amino-1-[(8s)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5h-imidazo[1,2-a]pyrazin-4-ium-8a-ylium-7-yl]-3-sulfanyl-propan-1-one
Molecular Mass 398.565 g·mol−1
Heat of Formation -6.9 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 499.39 Å 3
Surface Area 410.87 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-1-[(8s)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5h-imidazo[2,1-c]pyrazin-7-yl]-3-mercapto-propan-1-one
  • (2r)-2-amino-1-[(8s)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5h-imidazo[2,1-c]pyrazin-7-yl]-3-mercaptopropan-1-one
  • (2r)-2-amino-1-[(8s)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5h-imidazo[2,1-c]pyrazin-7-yl]-3-sulfanyl-propan-1-one
  • (2r)-2-amino-1-[(8s)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5h-imidazo[2,1-c]pyrazin-7-yl]-3-sulfanylpropan-1-one
InChIKey HVSILNVTAWKPSC-ICSRJNTNSA-N
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