ChemSpider 2D Image | 2-[(4-Methylphenyl)sulfonyl]-3-(3-{3-[(4-methyl-1-piperidinyl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)acrylonitrile | C31H30N4O4S2

2-[(4-Methylphenyl)sulfonyl]-3-(3-{3-[(4-methyl-1-piperidinyl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)acrylonitrile

  • Molecular FormulaC31H30N4O4S2
  • Average mass586.724 Da
  • Monoisotopic mass586.170837 Da
  • ChemSpider ID3888331

More details:

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

2-[(4-Methylphenyl)sulfonyl]-3-(3-{3-[(4-methyl-1-piperidinyl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)acrylonitril [German] [ACD/IUPAC Name]
2-[(4-Methylphenyl)sulfonyl]-3-(3-{3-[(4-methyl-1-piperidinyl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)acrylonitrile [ACD/IUPAC Name]
2-[(4-Méthylphényl)sulfonyl]-3-(3-{3-[(4-méthyl-1-pipéridinyl)sulfonyl]phényl}-1-phényl-1H-pyrazol-4-yl)acrylonitrile [French] [ACD/IUPAC Name]
2-Propenenitrile, 2-[(4-methylphenyl)sulfonyl]-3-[3-[3-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-1-phenyl-1H-pyrazol-4-yl]- [ACD/Index 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: 813.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 445.8±37.1 °C
Index of Refraction: 1.653
Molar Refractivity: 164.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6273.68
ACD/KOC (pH 5.5): 18191.06
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6273.68
ACD/KOC (pH 7.4): 18191.06
Polar Surface Area: 130 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 450.1±7.0 cm3

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