Found 106 results

Search term: MF = 'C_{21}H_{28}N_{8}O_{2}S'
ChemSpider 2D Image | 2-Methyl-2-propanyl [4-({3-[2-(methylsulfanyl)-4-pyrimidinyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)cyclohexyl]carbamate | C21H28N8O2S

2-Methyl-2-propanyl [4-({3-[2-(methylsulfanyl)-4-pyrimidinyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)cyclohexyl]carbamate

  • Molecular FormulaC21H28N8O2S
  • Average mass456.564 Da
  • Monoisotopic mass456.205597 Da
  • ChemSpider ID37996327

More details:

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

[4-({3-[2-(Méthylsulfanyl)-4-pyrimidinyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)cyclohexyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [4-({3-[2-(methylsulfanyl)-4-pyrimidinyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)cyclohexyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[4-({3-[2-(methylsulfanyl)-4-pyrimidinyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)cyclohexyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[4-[[3-[2-(methylthio)-4-pyrimidinyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]cyclohexyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
{4-[3-(2-methylsulfanyl-pyrimidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino]-cyclohexyl}-carbamic acid tert-butyl ester
1386398-86-2 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 122.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 140.41
ACD/KOC (pH 5.5): 1126.71
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 18.23
ACD/KOC (pH 7.4): 146.32
Polar Surface Area: 156 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 76.4±5.0 dyne/cm
Molar Volume: 336.9±5.0 cm3

Click to predict properties on the Chemicalize site


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