ChemSpider 2D Image | N~5~-[(1S,2S)-2-(Benzyloxy)cyclohexyl]-1-(2-{[(1S,2S)-2-(benzyloxy)cyclohexyl]amino}-2-oxoethyl)-N~3~-(2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-3,5-dicarboxamide | C42H49N5O5

N5-[(1S,2S)-2-(Benzyloxy)cyclohexyl]-1-(2-{[(1S,2S)-2-(benzyloxy)cyclohexyl]amino}-2-oxoethyl)-N3-(2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-3,5-dicarboxamide

  • Molecular FormulaC42H49N5O5
  • Average mass703.869 Da
  • Monoisotopic mass703.373352 Da
  • ChemSpider ID17233665

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Pyrazole-3,5-dicarboxamide, N3-(2,3-dihydro-1H-inden-1-yl)-1-[2-oxo-2-[[(1S,2S)-2-(phenylmethoxy)cyclohexyl]amino]ethyl]-N5-[(1S,2S)-2-(phenylmethoxy)cyclohexyl]- [ACD/Index Name]
N5-[(1S,2S)-2-(Benzyloxy)cyclohexyl]-1-(2-{[(1S,2S)-2-(benzyloxy)cyclohexyl]amino}-2-oxoethyl)-N3-(2,3-dihydro-1H-inden-1-yl)-1H-pyrazol-3,5-dicarboxamid [German] [ACD/IUPAC Name]
N5-[(1S,2S)-2-(Benzyloxy)cyclohexyl]-1-(2-{[(1S,2S)-2-(benzyloxy)cyclohexyl]amino}-2-oxoethyl)-N3-(2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-3,5-dicarboxamide [ACD/IUPAC Name]
N5-[(1S,2S)-2-(Benzyloxy)cyclohexyl]-1-(2-{[(1S,2S)-2-(benzyloxy)cyclohexyl]amino}-2-oxoéthyl)-N3-(2,3-dihydro-1H-indén-1-yl)-1H-pyrazole-3,5-dicarboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 938.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.6±3.0 kJ/mol
Flash Point: 521.1±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 199.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2624.27
ACD/KOC (pH 5.5): 9748.15
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2624.26
ACD/KOC (pH 7.4): 9748.10
Polar Surface Area: 124 Å2
Polarizability: 79.2±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 541.8±7.0 cm3

Click to predict properties on the Chemicalize site


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