ChemSpider 2D Image | Panulisib | C27H20F3N9

Panulisib

  • Molecular FormulaC27H20F3N9
  • Average mass527.503 Da
  • Monoisotopic mass527.179382 Da
  • ChemSpider ID29165869

More details:

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

{8-[6-Amino-5-(trifluormethyl)-3-pyridinyl]-1-[6-(2-cyan-2-propanyl)-3-pyridinyl]-3-methyl-1,3-dihydro-2H-imidazo[4,5-c]chinolin-2-yliden}cyanamid [German] [ACD/IUPAC Name]
{8-[6-Amino-5-(trifluorométhyl)-3-pyridinyl]-1-[6-(2-cyano-2-propanyl)-3-pyridinyl]-3-méthyl-1,3-dihydro-2H-imidazo[4,5-c]quinoléin-2-ylidène}cyanamide [French] [ACD/IUPAC Name]
{8-[6-Amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-(2-cyano-2-propanyl)-3-pyridinyl]-3-methyl-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-ylidene}cyanamide [ACD/IUPAC Name]
Cyanamide, N-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-(1-cyano-1-methylethyl)-3-pyridinyl]-1,3-dihydro-3-methyl-2H-imidazo[4,5-c]quinolin-2-ylidene]- [ACD/Index Name]
Panulisib [INN]
Panulisib [Spanish] [INN]
Panulisib [French] [INN]
panulisibum [Latin] [INN]
1356033-60-7 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 711.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 384.0±35.7 °C
Index of Refraction: 1.679
Molar Refractivity: 140.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 199.39
ACD/KOC (pH 5.5): 1539.52
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 199.94
ACD/KOC (pH 7.4): 1543.78
Polar Surface Area: 131 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 371.5±7.0 cm3

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