ChemSpider 2D Image | 4-[(5-Chloro-4-{[3-(isopropylsulfonyl)-1-methyl-1H-pyrazol-4-yl]amino}-2-pyrimidinyl)amino]-5-(cyclopropyloxy)-N-ethyl-2-methylbenzamide | C24H30ClN7O4S

4-[(5-Chloro-4-{[3-(isopropylsulfonyl)-1-methyl-1H-pyrazol-4-yl]amino}-2-pyrimidinyl)amino]-5-(cyclopropyloxy)-N-ethyl-2-methylbenzamide

  • Molecular FormulaC24H30ClN7O4S
  • Average mass548.057 Da
  • Monoisotopic mass547.176880 Da
  • ChemSpider ID58978544

More details:

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

4-[(5-Chlor-4-{[3-(isopropylsulfonyl)-1-methyl-1H-pyrazol-4-yl]amino}-2-pyrimidinyl)amino]-5-(cyclopropyloxy)-N-ethyl-2-methylbenzamid [German] [ACD/IUPAC Name]
4-[(5-Chloro-4-{[3-(isopropylsulfonyl)-1-methyl-1H-pyrazol-4-yl]amino}-2-pyrimidinyl)amino]-5-(cyclopropyloxy)-N-ethyl-2-methylbenzamide [ACD/IUPAC Name]
4-[(5-Chloro-4-{[3-(isopropylsulfonyl)-1-méthyl-1H-pyrazol-4-yl]amino}-2-pyrimidinyl)amino]-5-(cyclopropyloxy)-N-éthyl-2-méthylbenzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[5-chloro-4-[[1-methyl-3-[(1-methylethyl)sulfonyl]-1H-pyrazol-4-yl]amino]-2-pyrimidinyl]amino]-5-(cyclopropyloxy)-N-ethyl-2-methyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.681
Molar Refractivity: 140.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 222.72
ACD/KOC (pH 5.5): 1667.22
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 222.98
ACD/KOC (pH 7.4): 1669.16
Polar Surface Area: 149 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 372.4±7.0 cm3

Click to predict properties on the Chemicalize site


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