ChemSpider 2D Image | N-[3-(6-{[4-(3-Hydroxy-1,4-dimethyl-1,4,5,6-tetrahydro-2-pyrazinyl)phenyl]amino}-4-methyl-5-oxo-4,5-dihydro-2-pyrazinyl)-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide | C33H36N6O3S

N-[3-(6-{[4-(3-Hydroxy-1,4-dimethyl-1,4,5,6-tetrahydro-2-pyrazinyl)phenyl]amino}-4-methyl-5-oxo-4,5-dihydro-2-pyrazinyl)-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

  • Molecular FormulaC33H36N6O3S
  • Average mass596.742 Da
  • Monoisotopic mass596.256958 Da
  • ChemSpider ID95697597

More details:

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

Benzo[b]thiophene-2-carboxamide, N-[3-[4,5-dihydro-4-methyl-5-oxo-6-[[4-(1,4,5,6-tetrahydro-3-hydroxy-1,4-dimethyl-2-pyrazinyl)phenyl]amino]-2-pyrazinyl]-2-methylphenyl]-4,5,6,7-tetrahydro- [ACD/Index Name]
N-[3-(6-{[4-(3-Hydroxy-1,4-dimethyl-1,4,5,6-tetrahydro-2-pyrazinyl)phenyl]amino}-4-methyl-5-oxo-4,5-dihydro-2-pyrazinyl)-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
N-[3-(6-{[4-(3-Hydroxy-1,4-dimethyl-1,4,5,6-tetrahydro-2-pyrazinyl)phenyl]amino}-4-methyl-5-oxo-4,5-dihydro-2-pyrazinyl)-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
N-[3-(6-{[4-(3-Hydroxy-1,4-diméthyl-1,4,5,6-tétrahydro-2-pyrazinyl)phényl]amino}-4-méthyl-5-oxo-4,5-dihydro-2-pyrazinyl)-2-méthylphényl]-4,5,6,7-tétrahydro-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.697
Molar Refractivity: 170.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 553.78
ACD/KOC (pH 5.5): 3091.16
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 625.14
ACD/KOC (pH 7.4): 3489.46
Polar Surface Area: 129 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 441.1±7.0 cm3

Click to predict properties on the Chemicalize site


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