ChemSpider 2D Image | 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE | C21H22F2N6O

5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE

  • Molecular FormulaC21H22F2N6O
  • Average mass412.436 Da
  • Monoisotopic mass412.182312 Da
  • ChemSpider ID25060849

More details:






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

2-Pyridinecarbonitrile, 5-[(4'-amino-1'-ethyl-5',8'-difluorospiro[piperidine-4,2'(1'H)-quinazolin]-1-yl)carbonyl]-3,4-dihydro- [ACD/Index Name]
5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE
5-[(4'-Amino-1'-ethyl-5',8'-difluor-1H,1'H-spiro[piperidine-4,2'-quinazolin]-1-yl)carbonyl]-3,4-dihydro-2-pyridincarbonitril [German] [ACD/IUPAC Name]
5-[(4'-Amino-1'-ethyl-5',8'-difluoro-1H,1'H-spiro[piperidine-4,2'-quinazolin]-1-yl)carbonyl]-3,4-dihydro-2-pyridinecarbonitrile [ACD/IUPAC Name]
5-[(4'-Amino-1'-éthyl-5',8'-difluoro-1H,1'H-spiro[piperidine-4,2'-quinazolin]-1-yl)carbonyl]-3,4-dihydro-2-pyridinecarbonitrile [French] [ACD/IUPAC Name]
5-({4'-amino-1'-ethyl-5',8'-difluoro-1'H-spiro[piperidine-4,2'-quinazoline]-1-yl}carbonyl)-3,4-dihydropyridine-2-carbonitrile
5-({4'-amino-1'-ethyl-5',8'-difluorospiro[piperidine-4,2'-quinazoline]-1-yl}carbonyl)-3,4-dihydropyridine-2-carbonitrile

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 638.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 340.1±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 107.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 7.21
ACD/KOC (pH 5.5): 125.23
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.45
ACD/KOC (pH 7.4): 198.83
Polar Surface Area: 98 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 288.5±7.0 cm3

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