ChemSpider 2D Image | 1-{(3S,4S)-4-Amino-1-[6-(3,3-difluoro-1-pyrrolidinyl)-4-pyrimidinyl]-3-pyrrolidinyl}-2-piperidinone | C17H24F2N6O

1-{(3S,4S)-4-Amino-1-[6-(3,3-difluoro-1-pyrrolidinyl)-4-pyrimidinyl]-3-pyrrolidinyl}-2-piperidinone

  • Molecular FormulaC17H24F2N6O
  • Average mass366.409 Da
  • Monoisotopic mass366.197968 Da
  • ChemSpider ID26386511

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-{(3S,4S)-4-Amino-1-[6-(3,3-difluor-1-pyrrolidinyl)-4-pyrimidinyl]-3-pyrrolidinyl}-2-piperidinon [German] [ACD/IUPAC Name]
1-{(3S,4S)-4-Amino-1-[6-(3,3-difluoro-1-pyrrolidinyl)-4-pyrimidinyl]-3-pyrrolidinyl}-2-piperidinone [ACD/IUPAC Name]
1-{(3S,4S)-4-Amino-1-[6-(3,3-difluoro-1-pyrrolidinyl)-4-pyrimidinyl]-3-pyrrolidinyl}-2-pipéridinone [French] [ACD/IUPAC Name]
2-Piperidinone, 1-[(3S,4S)-4-amino-1-[6-(3,3-difluoro-1-pyrrolidinyl)-4-pyrimidinyl]-3-pyrrolidinyl]- [ACD/Index 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: 601.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.4±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 92.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -3.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.58
Polar Surface Area: 79 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 263.4±5.0 cm3

Click to predict properties on the Chemicalize site


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