ChemSpider 2D Image | 2-Methyl-2-propanyl [2-({[7-methyl-2-(methylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl}amino)ethyl]carbamate | C16H23N5O5S

2-Methyl-2-propanyl [2-({[7-methyl-2-(methylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl}amino)ethyl]carbamate

  • Molecular FormulaC16H23N5O5S
  • Average mass397.449 Da
  • Monoisotopic mass397.141998 Da
  • ChemSpider ID30649068

More details:






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

[2-({[7-Méthyl-2-(méthylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl}amino)éthyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [2-({[7-methyl-2-(methylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl}amino)ethyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[2-({[7-methyl-2-(methylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl}amino)ethyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[[[7-methyl-2-(methylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl]amino]ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl (2-(7-methyl-2-(methylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamido)ethyl)carbamate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.617
Molar Refractivity: 99.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.78
ACD/KOC (pH 5.5): 72.42
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.78
ACD/KOC (pH 7.4): 72.42
Polar Surface Area: 141 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 285.1±7.0 cm3

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