ChemSpider 2D Image | N-[3-(2-Amino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-3-oxopropyl]-2,6-difluorobenzenesulfonamide | C15H15F2N5O3S

N-[3-(2-Amino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-3-oxopropyl]-2,6-difluorobenzenesulfonamide

  • Molecular FormulaC15H15F2N5O3S
  • Average mass383.373 Da
  • Monoisotopic mass383.086365 Da
  • ChemSpider ID39520601

More details:

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

Benzenesulfonamide, N-[3-(2-amino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-3-oxopropyl]-2,6-difluoro- [ACD/Index Name]
N-[3-(2-Amino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-3-oxopropyl]-2,6-difluorbenzolsulfonamid [German] [ACD/IUPAC Name]
N-[3-(2-Amino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-3-oxopropyl]-2,6-difluorobenzenesulfonamide [ACD/IUPAC Name]
N-[3-(2-Amino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-3-oxopropyl]-2,6-difluorobenzènesulfonamide [French] [ACD/IUPAC Name]
N-(3-(2-amino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)-3-oxopropyl)-2,6-difluorobenzenesulfonamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 674.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 361.7±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 88.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.60
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.12
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.85
Polar Surface Area: 127 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 69.3±3.0 dyne/cm
Molar Volume: 249.5±3.0 cm3

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