ChemSpider 2D Image | 2-Methyl-5-[(2E)-2-({1-phenyl-3-[4-(1-piperidinylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylene)hydrazino]-1,3-oxazole-4-carbonitrile | C26H25N7O3S

2-Methyl-5-[(2E)-2-({1-phenyl-3-[4-(1-piperidinylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylene)hydrazino]-1,3-oxazole-4-carbonitrile

  • Molecular FormulaC26H25N7O3S
  • Average mass515.587 Da
  • Monoisotopic mass515.173950 Da
  • ChemSpider ID7947220

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Methyl-5-[(2E)-2-({1-phenyl-3-[4-(1-piperidinylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylen)hydrazino]-1,3-oxazol-4-carbonitril [German] [ACD/IUPAC Name]
2-Methyl-5-[(2E)-2-({1-phenyl-3-[4-(1-piperidinylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylene)hydrazino]-1,3-oxazole-4-carbonitrile [ACD/IUPAC Name]
2-Méthyl-5-[(2E)-2-({1-phényl-3-[4-(1-pipéridinylsulfonyl)phényl]-1H-pyrazol-4-yl}méthylène)hydrazino]-1,3-oxazole-4-carbonitrile [French] [ACD/IUPAC Name]
2-Methyl-5-[(2E)-2-({1-phenyl-3-[4-(piperidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylene)hydrazino]-1,3-oxazole-4-carbonitrile
4-Oxazolecarbonitrile, 2-methyl-5-[(2E)-2-[[1-phenyl-3-[4-(1-piperidinylsulfonyl)phenyl]-1H-pyrazol-4-yl]methylene]hydrazinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 740.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.8±35.7 °C
Index of Refraction: 1.695
Molar Refractivity: 142.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 448.25
ACD/KOC (pH 5.5): 2751.42
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 446.81
ACD/KOC (pH 7.4): 2742.60
Polar Surface Area: 138 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 371.1±7.0 cm3

Click to predict properties on the Chemicalize site


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