ChemSpider 2D Image | 4-({2-Ethyl-6-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-pyrimidinyl}amino)-N-(4-methyl-2-pyrimidinyl)benzenesulfonamide | C28H33N9O2S

4-({2-Ethyl-6-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-pyrimidinyl}amino)-N-(4-methyl-2-pyrimidinyl)benzenesulfonamide

  • Molecular FormulaC28H33N9O2S
  • Average mass559.686 Da
  • Monoisotopic mass559.247803 Da
  • ChemSpider ID121455783

More details:

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

4-({2-Ethyl-6-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-pyrimidinyl}amino)-N-(4-methyl-2-pyrimidinyl)benzenesulfonamide [ACD/IUPAC Name]
4-({2-Éthyl-6-[2-(4,5,6,7-tétrahydro-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-pyrimidinyl}amino)-N-(4-méthyl-2-pyrimidinyl)benzènesulfonamide [French] [ACD/IUPAC Name]
4-({2-Ethyl-6-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-pyrimidinyl}amino)-N-(4-methyl-2-pyrimidinyl)benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[2-ethyl-6-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-pyrimidinyl]amino]-N-(4-methyl-2-pyrimidinyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 867.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 126.1±3.0 kJ/mol
Flash Point: 478.7±37.1 °C
Index of Refraction: 1.669
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.72
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 3.24
ACD/KOC (pH 7.4): 19.49
Polar Surface Area: 150 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 77.0±3.0 dyne/cm
Molar Volume: 403.7±3.0 cm3

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