ChemSpider 2D Image | 5-Chloro-2,6-dimethyl-N-{[3-methyl-4-(3-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}propoxy)-2-pyridinyl]methyl}-4-pyrimidinamine | C22H28ClN7O3S

5-Chloro-2,6-dimethyl-N-{[3-methyl-4-(3-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}propoxy)-2-pyridinyl]methyl}-4-pyrimidinamine

  • Molecular FormulaC22H28ClN7O3S
  • Average mass506.021 Da
  • Monoisotopic mass505.166290 Da
  • ChemSpider ID8046511

More details:

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

4-Pyrimidinamine, 5-chloro-2,6-dimethyl-N-[[3-methyl-4-[3-[[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]thio]propoxy]-2-pyridinyl]methyl]- [ACD/Index Name]
5-Chlor-2,6-dimethyl-N-{[3-methyl-4-(3-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}propoxy)-2-pyridinyl]methyl}-4-pyrimidinamin [German] [ACD/IUPAC Name]
5-Chloro-2,6-dimethyl-N-{[3-methyl-4-(3-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}propoxy)-2-pyridinyl]methyl}-4-pyrimidinamine [ACD/IUPAC Name]
5-Chloro-2,6-diméthyl-N-{[3-méthyl-4-(3-{[2-(2-méthyl-5-nitro-1H-imidazol-1-yl)éthyl]sulfanyl}propoxy)-2-pyridinyl]méthyl}-4-pyrimidinamine [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: 725.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.8±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 134.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 150.16
ACD/KOC (pH 5.5): 821.76
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 649.27
ACD/KOC (pH 7.4): 3553.14
Polar Surface Area: 149 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 367.3±7.0 cm3

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