ChemSpider 2D Image | 2-[2-(Methylsulfanyl)-4-pyrimidinyl]-1-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone | C20H16N4O3S2

2-[2-(Methylsulfanyl)-4-pyrimidinyl]-1-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone

  • Molecular FormulaC20H16N4O3S2
  • Average mass424.496 Da
  • Monoisotopic mass424.066376 Da
  • ChemSpider ID26519111

More details:

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

1-[1-(Benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-[2-(methylsulfanyl)pyrimidin-4-yl]ethan-1-one
1111638-52-8 [RN]
2-[2-(Methylsulfanyl)-4-pyrimidinyl]-1-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanon [German] [ACD/IUPAC Name]
2-[2-(Methylsulfanyl)-4-pyrimidinyl]-1-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone [ACD/IUPAC Name]
2-[2-(Méthylsulfanyl)-4-pyrimidinyl]-1-[1-(phénylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[2-(methylthio)-4-pyrimidinyl]-1-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]- [ACD/Index Name]
1-[1-(BENZENESULFONYL)PYRROLO[2,3-B]PYRIDIN-5-YL]-2-[2-(METHYLSULFANYL)PYRIMIDIN-4-YL]ETHANONE
2-(2-(methylthio)pyrimidin-4-yl)-1-(1-(phenylsulfonyl)-1h-pyrrolo(2,3-b)pyridin-5-yl)ethanone
2-[2-(Methylthio)pyrimidin-4-yl]-1-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
MFCD18157747

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

Density: 1.4±0.1 g/cm3
Boiling Point: 673.8±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: 361.3±34.3 °C
Index of Refraction: 1.710
Molar Refractivity: 115.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.33
ACD/KOC (pH 5.5): 558.67
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.33
ACD/KOC (pH 7.4): 558.67
Polar Surface Area: 128 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 61.3±7.0 dyne/cm
Molar Volume: 296.5±7.0 cm3

Click to predict properties on the Chemicalize site


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