ChemSpider 2D Image | 3-(2-Cyano-2-propanyl)-N-(4-methyl-3-{[6-(4-methyl-1-piperazinyl)pyrido[3,2-d]pyrimidin-4-yl]amino}phenyl)benzamide | C30H32N8O

3-(2-Cyano-2-propanyl)-N-(4-methyl-3-{[6-(4-methyl-1-piperazinyl)pyrido[3,2-d]pyrimidin-4-yl]amino}phenyl)benzamide

  • Molecular FormulaC30H32N8O
  • Average mass520.628 Da
  • Monoisotopic mass520.269897 Da
  • ChemSpider ID34955951

More details:

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

3-(2-Cyan-2-propanyl)-N-(4-methyl-3-{[6-(4-methyl-1-piperazinyl)pyrido[3,2-d]pyrimidin-4-yl]amino}phenyl)benzamid [German] [ACD/IUPAC Name]
3-(2-Cyano-2-propanyl)-N-(4-methyl-3-{[6-(4-methyl-1-piperazinyl)pyrido[3,2-d]pyrimidin-4-yl]amino}phenyl)benzamide [ACD/IUPAC Name]
3-(2-Cyano-2-propanyl)-N-(4-méthyl-3-{[6-(4-méthyl-1-pipérazinyl)pyrido[3,2-d]pyrimidin-4-yl]amino}phényl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-(1-cyano-1-methylethyl)-N-[4-methyl-3-[[6-(4-methyl-1-piperazinyl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]- [ACD/Index Name]
US8569316, 141

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 654.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.4±31.5 °C
Index of Refraction: 1.679
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 56.02
ACD/KOC (pH 5.5): 220.09
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1623.50
ACD/KOC (pH 7.4): 6378.33
Polar Surface Area: 110 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 407.8±3.0 cm3

Click to predict properties on the Chemicalize site


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