ChemSpider 2D Image | 4,6-Dimethyl-2-({4-(4-methyl-1-piperazinyl)-1-[4-(4-methyl-1-piperazinyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)nicotinonitrile | C28H33N7O2S

4,6-Dimethyl-2-({4-(4-methyl-1-piperazinyl)-1-[4-(4-methyl-1-piperazinyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)nicotinonitrile

  • Molecular FormulaC28H33N7O2S
  • Average mass531.672 Da
  • Monoisotopic mass531.241638 Da
  • ChemSpider ID60127270

More details:

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

3-Pyridinecarbonitrile, 2-[[2,5-dihydro-4-(4-methyl-1-piperazinyl)-1-[4-(4-methyl-1-piperazinyl)phenyl]-2,5-dioxo-1H-pyrrol-3-yl]thio]-4,6-dimethyl- [ACD/Index Name]
4,6-Dimethyl-2-({4-(4-methyl-1-piperazinyl)-1-[4-(4-methyl-1-piperazinyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)nicotinonitril [German] [ACD/IUPAC Name]
4,6-Dimethyl-2-({4-(4-methyl-1-piperazinyl)-1-[4-(4-methyl-1-piperazinyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)nicotinonitrile [ACD/IUPAC Name]
4,6-Diméthyl-2-({4-(4-méthyl-1-pipérazinyl)-1-[4-(4-méthyl-1-pipérazinyl)phényl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)nicotinonitrile [French] [ACD/IUPAC 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: 693.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.2±31.5 °C
Index of Refraction: 1.696
Molar Refractivity: 148.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.90
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 5.53
ACD/KOC (pH 7.4): 77.12
Polar Surface Area: 112 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 76.1±5.0 dyne/cm
Molar Volume: 386.9±5.0 cm3

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