ChemSpider 2D Image | Pf-06260414 | C14H14N4O2S

Pf-06260414

  • Molecular FormulaC14H14N4O2S
  • Average mass302.352 Da
  • Monoisotopic mass302.083740 Da
  • ChemSpider ID58824307

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1612755-71-1 [RN]
1-Isoquinolinecarbonitrile, 6-[(4R)-tetrahydro-4-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-2-yl]- [ACD/Index Name]
6-[(4R)-4-Methyl-1,1-dioxido-1,2,6-thiadiazinan-2-yl]-1-isochinolincarbonitril [German] [ACD/IUPAC Name]
6-[(4R)-4-Methyl-1,1-dioxido-1,2,6-thiadiazinan-2-yl]-1-isoquinolinecarbonitrile [ACD/IUPAC Name]
6-[(4R)-4-Méthyl-1,1-dioxydo-1,2,6-thiadiazinan-2-yl]-1-isoquinoléinecarbonitrile [French] [ACD/IUPAC Name]
6-[(4R)-tetrahydro-4-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-2-yl]-1-isoquinolinecarbonitrile
Pf-06260414
6-((4R)-4-Methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)isoquinoline-1-carbonitrile
6-[(4R)-4-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl]isoquinoline-1-carbonitrile
MFCD30480910
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 539.7±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.2±30.9 °C
Index of Refraction: 1.691
Molar Refractivity: 79.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.69
ACD/KOC (pH 5.5): 50.64
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.69
ACD/KOC (pH 7.4): 50.63
Polar Surface Area: 94 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 207.7±5.0 cm3

Click to predict properties on the Chemicalize site


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