Found 33 results

Search term: MF = 'C_{35}H_{32}N_{4}O_{2}S'
ChemSpider 2D Image | (5E)-5-({3-[4-(Butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylene)-4-methyl-2,6-dioxo-1-(1-phenylethyl)-1,2,5,6-tetrahydro-3-pyridinecarbonitrile | C35H32N4O2S

(5E)-5-({3-[4-(Butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylene)-4-methyl-2,6-dioxo-1-(1-phenylethyl)-1,2,5,6-tetrahydro-3-pyridinecarbonitrile

  • Molecular FormulaC35H32N4O2S
  • Average mass572.719 Da
  • Monoisotopic mass572.224609 Da
  • ChemSpider ID11999802

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-5-({3-[4-(Butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylen)-4-methyl-2,6-dioxo-1-(1-phenylethyl)-1,2,5,6-tetrahydro-3-pyridincarbonitril [German] [ACD/IUPAC Name]
(5E)-5-({3-[4-(Butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylene)-4-methyl-2,6-dioxo-1-(1-phenylethyl)-1,2,5,6-tetrahydro-3-pyridinecarbonitrile [ACD/IUPAC Name]
(5E)-5-({3-[4-(Butylsulfanyl)phényl]-1-phényl-1H-pyrazol-4-yl}méthylène)-4-méthyl-2,6-dioxo-1-(1-phényléthyl)-1,2,5,6-tétrahydro-3-pyridinecarbonitrile [French] [ACD/IUPAC Name]
(5E)-5-({3-[4-(Butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylene)-4-methyl-2,6-dioxo-1-(1-phenylethyl)-1,2,5,6-tetrahydropyridine-3-carbonitrile
3-Pyridinecarbonitrile, 5-[[3-[4-(butylthio)phenyl]-1-phenyl-1H-pyrazol-4-yl]methylene]-1,2,5,6-tetrahydro-4-methyl-2,6-dioxo-1-(1-phenylethyl)-, (5E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 735.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 398.8±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 173.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.65
ACD/LogD (pH 5.5): 7.13
ACD/BCF (pH 5.5): 153902.39
ACD/KOC (pH 5.5): 179724.47
ACD/LogD (pH 7.4): 7.13
ACD/BCF (pH 7.4): 153902.39
ACD/KOC (pH 7.4): 179724.47
Polar Surface Area: 104 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 482.0±7.0 cm3

Click to predict properties on the Chemicalize site


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