ChemSpider 2D Image | 2-Methyl-2-propanyl 4-({methyl[6-({4-[(trifluoromethyl)sulfonyl]phenyl}amino)-4-pyrimidinyl]amino}methyl)-1-piperidinecarboxylate | C23H30F3N5O4S

2-Methyl-2-propanyl 4-({methyl[6-({4-[(trifluoromethyl)sulfonyl]phenyl}amino)-4-pyrimidinyl]amino}methyl)-1-piperidinecarboxylate

  • Molecular FormulaC23H30F3N5O4S
  • Average mass529.576 Da
  • Monoisotopic mass529.197083 Da
  • ChemSpider ID9686870

More details:

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

1-Piperidinecarboxylic acid, 4-[[methyl[6-[[4-[(trifluoromethyl)sulfonyl]phenyl]amino]-4-pyrimidinyl]amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-({methyl[6-({4-[(trifluoromethyl)sulfonyl]phenyl}amino)-4-pyrimidinyl]amino}methyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-({methyl[6-({4-[(trifluormethyl)sulfonyl]phenyl}amino)-4-pyrimidinyl]amino}methyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-({Méthyl[6-({4-[(trifluorométhyl)sulfonyl]phényl}amino)-4-pyrimidinyl]amino}méthyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 630.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 335.0±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 127.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 3791.79
ACD/KOC (pH 5.5): 10142.54
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8208.50
ACD/KOC (pH 7.4): 21956.67
Polar Surface Area: 113 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 398.8±3.0 cm3

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