ChemSpider 2D Image | N-(2-Chloro-6-methylphenyl)-5-{[6-(4-ethyl-1-piperazinyl)-2-methyl-4-pyrimidinyl]amino}-1-benzothiophene-2-carboxamide | C27H29ClN6OS

N-(2-Chloro-6-methylphenyl)-5-{[6-(4-ethyl-1-piperazinyl)-2-methyl-4-pyrimidinyl]amino}-1-benzothiophene-2-carboxamide

  • Molecular FormulaC27H29ClN6OS
  • Average mass521.077 Da
  • Monoisotopic mass520.181213 Da
  • ChemSpider ID28483921

More details:

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

Benzo[b]thiophene-2-carboxamide, N-(2-chloro-6-methylphenyl)-5-[[6-(4-ethyl-1-piperazinyl)-2-methyl-4-pyrimidinyl]amino]- [ACD/Index Name]
N-(2-Chlor-6-methylphenyl)-5-{[6-(4-ethyl-1-piperazinyl)-2-methyl-4-pyrimidinyl]amino}-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
N-(2-Chloro-6-methylphenyl)-5-{[6-(4-ethyl-1-piperazinyl)-2-methyl-4-pyrimidinyl]amino}-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
N-(2-Chloro-6-méthylphényl)-5-{[6-(4-éthyl-1-pipérazinyl)-2-méthyl-4-pyrimidinyl]amino}-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 644.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.3±31.5 °C
Index of Refraction: 1.698
Molar Refractivity: 150.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 4.66
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 941.97
ACD/KOC (pH 7.4): 2878.49
Polar Surface Area: 102 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 389.8±3.0 cm3

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