ChemSpider 2D Image | 2-{[1-(3,4-Dichlorophenyl)-4-(3-methyl-1-piperidinyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}-4,6-dimethylnicotinonitrile | C24H22Cl2N4O2S

2-{[1-(3,4-Dichlorophenyl)-4-(3-methyl-1-piperidinyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}-4,6-dimethylnicotinonitrile

  • Molecular FormulaC24H22Cl2N4O2S
  • Average mass501.428 Da
  • Monoisotopic mass500.084045 Da
  • ChemSpider ID60014303

More details:






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

2-{[1-(3,4-Dichlorophenyl)-4-(3-methyl-1-piperidinyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}-4,6-dimethylnicotinonitrile [ACD/IUPAC Name]
2-{[1-(3,4-Dichlorophényl)-4-(3-méthyl-1-pipéridinyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}-4,6-diméthylnicotinonitrile [French] [ACD/IUPAC Name]
2-{[1-(3,4-Dichlorphenyl)-4-(3-methyl-1-piperidinyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}-4,6-dimethylnicotinonitril [German] [ACD/IUPAC Name]
3-Pyridinecarbonitrile, 2-[[1-(3,4-dichlorophenyl)-2,5-dihydro-4-(3-methyl-1-piperidinyl)-2,5-dioxo-1H-pyrrol-3-yl]thio]-4,6-dimethyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 649.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.4±31.5 °C
Index of Refraction: 1.680
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2819.38
ACD/KOC (pH 5.5): 10261.59
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2819.38
ACD/KOC (pH 7.4): 10261.61
Polar Surface Area: 103 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 72.4±5.0 dyne/cm
Molar Volume: 345.2±5.0 cm3

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