ChemSpider 2D Image | 2-Fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide | C22H21FN6O4S

2-Fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide

  • Molecular FormulaC22H21FN6O4S
  • Average mass484.503 Da
  • Monoisotopic mass484.132904 Da
  • ChemSpider ID25061137

More details:

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

2-Fluor-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamid [German] [ACD/IUPAC Name]
2-Fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide [ACD/IUPAC Name]
2-Fluoro-6-{[2-({2-méthoxy-4-[(méthylsulfonyl)méthyl]phényl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-fluoro-6-[[2-[[2-methoxy-4-[(methylsulfonyl)methyl]phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]- [ACD/Index Name]
2-fluoro-6-[(2-{[4-(methanesulfonylmethyl)-2-methoxyphenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
GS7

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

Density: 1.5±0.1 g/cm3
Boiling Point: 799.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 437.5±35.7 °C
Index of Refraction: 1.695
Molar Refractivity: 123.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 1.18
ACD/KOC (pH 5.5): 15.14
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 24.64
ACD/KOC (pH 7.4): 314.63
Polar Surface Area: 160 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 74.5±3.0 dyne/cm
Molar Volume: 321.2±3.0 cm3

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