(2R)-2-Carbamimidamido-2-Cyclohexyl-N-(2-{4-[5-(2,3-Dichlorophenyl)-1H-Pyrazol-3-Yl]Piperidin-1-Yl}-2-Oxoethyl)Ethanamide

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Properties Simple | Detailed

Formula C25H33Cl2N7O2
IUPAC Name (2r)-2-cyclohexyl-n-[2-[4-[5-(2,3-dichlorophenyl)pyrazol-3-yl]-1-piperidyl]-2-oxo-ethyl]-2-guanidino-acetamide
Molecular Mass 534.481 g·mol−1
Heat of Formation -202.5 ± 16.7 kJ·mol−1
Dipole Moment 7.26 ± 1.08 D
Volume 619.74 Å 3
Surface Area 520.33 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-cyclohexyl-2-(diaminomethylideneamino)-n-[2-[4-[5-(2,3-dichlorophenyl)-2h-pyrazol-3-yl]piperidin-1-yl]-2-oxo-ethyl]ethanamide
  • (2r)-2-cyclohexyl-2-(diaminomethylideneamino)-n-[2-[4-[5-(2,3-dichlorophenyl)-2h-pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]acetamide
  • (2r)-2-cyclohexyl-n-[2-[4-[5-(2,3-dichlorophenyl)-2h-pyrazol-3-yl]-1-piperidinyl]-2-oxoethyl]-2-guanidinoacetamide
  • (2r)-2-cyclohexyl-n-[2-[4-[5-(2,3-dichlorophenyl)-2h-pyrazol-3-yl]-1-piperidyl]-2-keto-ethyl]-2-guanidino-acetamide
  • (2r)-2-cyclohexyl-n-[2-[4-[5-(2,3-dichlorophenyl)-2h-pyrazol-3-yl]-1-piperidyl]-2-oxo-ethyl]-2-guanidino-acetamide
  • 2-cyclohexyl-n-(2-{4-[5-(2,3-dichloro-phenyl)-2h-pyrazol-3-yl]-piperidin-1-yl}-2-oxo-ethyl)-2-guanidino-acetamide
  • frb
InChIKey SSSXBBASYYVGCI-HSZRJFAPSA-N
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