ChemSpider 2D Image | 4-[5-Butyl-3-(hydroxymethyl)-1-phenyl-1H-pyrazol-4-yl]-3-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-N-{[2-(trimethylsilyl)ethyl]sulfonyl}benzamide | C36H44N4O5SSi

4-[5-Butyl-3-(hydroxymethyl)-1-phenyl-1H-pyrazol-4-yl]-3-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-N-{[2-(trimethylsilyl)ethyl]sulfonyl}benzamide

  • Molecular FormulaC36H44N4O5SSi
  • Average mass672.909 Da
  • Monoisotopic mass672.280151 Da
  • ChemSpider ID28528477

More details:

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

4-[5-Butyl-3-(hydroxymethyl)-1-phenyl-1H-pyrazol-4-yl]-3-(3,4-dihydro-2(1H)-isochinolinylcarbonyl)-N-{[2-(trimethylsilyl)ethyl]sulfonyl}benzamid [German] [ACD/IUPAC Name]
4-[5-Butyl-3-(hydroxyméthyl)-1-phényl-1H-pyrazol-4-yl]-3-(3,4-dihydro-2(1H)-isoquinoléinylcarbonyl)-N-{[2-(triméthylsilyl)éthyl]sulfonyl}benzamide [French] [ACD/IUPAC Name]
4-[5-Butyl-3-(hydroxymethyl)-1-phenyl-1H-pyrazol-4-yl]-3-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-N-{[2-(trimethylsilyl)ethyl]sulfonyl}benzamide [ACD/IUPAC Name]
4-[5-Butyl-3-(Hydroxymethyl)-1-Phenyl-1h-Pyrazol-4-Yl]-3-(3,4-Dihydroisoquinolin-2(1h)-Ylcarbonyl)-N-{[2-(Trimethylsilyl)ethyl]sulfonyl}benzamide
Benzamide, 4-[5-butyl-3-(hydroxymethyl)-1-phenyl-1H-pyrazol-4-yl]-3-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-N-[[2-(trimethylsilyl)ethyl]sulfonyl]- [ACD/Index Name]
0Q5

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 190.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 148.11
ACD/KOC (pH 5.5): 436.47
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 60.39
ACD/KOC (pH 7.4): 177.98
Polar Surface Area: 130 Å2
Polarizability: 75.5±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 547.1±7.0 cm3

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