ChemSpider 2D Image | N-[(2S)-2-Butanyl]-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}-1-piperazinyl]-3-pyridazinecarboxamide | C29H30F6N6O6S

N-[(2S)-2-Butanyl]-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}-1-piperazinyl]-3-pyridazinecarboxamide

  • Molecular FormulaC29H30F6N6O6S
  • Average mass704.641 Da
  • Monoisotopic mass704.185181 Da
  • ChemSpider ID26325469
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

3-Pyridazinecarboxamide, N-[(1S)-1-methylpropyl]-6-[(3R)-3-[[[[4-(trifluoromethoxy)phenyl]methyl]amino]carbonyl]-4-[[4-(trifluoromethoxy)phenyl]sulfonyl]-1-piperazinyl]- [ACD/Index Name]
N-[(2S)-2-Butanyl]-6-[(3R)-3-{[4-(trifluormethoxy)benzyl]carbamoyl}-4-{[4-(trifluormethoxy)phenyl]sulfonyl}-1-piperazinyl]-3-pyridazincarboxamid [German] [ACD/IUPAC Name]
N-[(2S)-2-Butanyl]-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}-1-piperazinyl]-3-pyridazinecarboxamide [ACD/IUPAC Name]
N-[(2S)-2-Butanyl]-6-[(3R)-3-{[4-(trifluorométhoxy)benzyl]carbamoyl}-4-{[4-(trifluorométhoxy)phényl]sulfonyl}-1-pipérazinyl]-3-pyridazinecarboxamide [French] [ACD/IUPAC Name]
33F
N-[(2s)-Butan-2-Yl]-6-[(3r)-3-{[4-(Trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(Trifluoromethoxy)phenyl]sulfonyl}piperazin-1-Yl]pyridazine-3-Carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.548
Molar Refractivity: 158.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 489.52
ACD/KOC (pH 5.5): 2887.29
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 515.42
ACD/KOC (pH 7.4): 3040.07
Polar Surface Area: 151 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 498.3±3.0 cm3

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