ChemSpider 2D Image | N-{2-[({5-[(Dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-6-[4-(3,4-dimethylphenyl)-1-piperazinyl]-3-nitro-2-pyridinamine | C27H36N6O3S

N-{2-[({5-[(Dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-6-[4-(3,4-dimethylphenyl)-1-piperazinyl]-3-nitro-2-pyridinamine

  • Molecular FormulaC27H36N6O3S
  • Average mass524.678 Da
  • Monoisotopic mass524.256958 Da
  • ChemSpider ID77728121

More details:

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

2-Pyridinamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-6-[4-(3,4-dimethylphenyl)-1-piperazinyl]-3-nitro- [ACD/Index Name]
N-{2-[({5-[(Dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-6-[4-(3,4-dimethylphenyl)-1-piperazinyl]-3-nitro-2-pyridinamin [German] [ACD/IUPAC Name]
N-{2-[({5-[(Dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-6-[4-(3,4-dimethylphenyl)-1-piperazinyl]-3-nitro-2-pyridinamine [ACD/IUPAC Name]
N-{2-[({5-[(Diméthylamino)méthyl]-2-furyl}méthyl)sulfanyl]éthyl}-6-[4-(3,4-diméthylphényl)-1-pipérazinyl]-3-nitro-2-pyridinamine [French] [ACD/IUPAC 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: 730.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.5±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 150.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.96
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 13.22
ACD/KOC (pH 5.5): 27.81
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 1890.30
ACD/KOC (pH 7.4): 3976.77
Polar Surface Area: 119 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 421.1±3.0 cm3

Click to predict properties on the Chemicalize site


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