ChemSpider 2D Image | 6-[(5-Chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-ol | C12H14ClN5O3S

6-[(5-Chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-ol

  • Molecular FormulaC12H14ClN5O3S
  • Average mass343.789 Da
  • Monoisotopic mass343.050598 Da
  • ChemSpider ID64927848

More details:

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

5H-Pyrrolo[3,4-d]pyrimidin-4-ol, 6-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6,7-dihydro-2-methyl- [ACD/Index Name]
6-[(5-Chlor-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-ol [German] [ACD/IUPAC Name]
6-[(5-Chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-ol [ACD/IUPAC Name]
6-[(5-Chloro-1,3-diméthyl-1H-pyrazol-4-yl)sulfonyl]-2-méthyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-ol [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 562.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 294.0±32.9 °C
Index of Refraction: 1.754
Molar Refractivity: 81.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.57
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.19
Polar Surface Area: 110 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 67.4±7.0 dyne/cm
Molar Volume: 200.3±7.0 cm3

Click to predict properties on the Chemicalize site


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