ChemSpider 2D Image | N-[4-({2-(2-Chlorophenyl)-6-[1-(3-methoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-4-pyrimidinyl}amino)phenyl]acetamide | C34H30ClN5O2

N-[4-({2-(2-Chlorophenyl)-6-[1-(3-methoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-4-pyrimidinyl}amino)phenyl]acetamide

  • Molecular FormulaC34H30ClN5O2
  • Average mass576.087 Da
  • Monoisotopic mass575.208801 Da
  • ChemSpider ID121500927

More details:

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

Acetamide, N-[4-[[2-(2-chlorophenyl)-6-[3,4-dihydro-1-(3-methoxyphenyl)-2(1H)-isoquinolinyl]-4-pyrimidinyl]amino]phenyl]- [ACD/Index Name]
N-[4-({2-(2-Chlorophényl)-6-[1-(3-méthoxyphényl)-3,4-dihydro-2(1H)-isoquinoléinyl]-4-pyrimidinyl}amino)phényl]acétamide [French] [ACD/IUPAC Name]
N-[4-({2-(2-Chlorophenyl)-6-[1-(3-methoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-4-pyrimidinyl}amino)phenyl]acetamide [ACD/IUPAC Name]
N-[4-({2-(2-Chlorphenyl)-6-[1-(3-methoxyphenyl)-3,4-dihydro-2(1H)-isochinolinyl]-4-pyrimidinyl}amino)phenyl]acetamid [German] [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: 739.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.9±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 166.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 19488.96
ACD/KOC (pH 5.5): 37170.63
ACD/LogD (pH 7.4): 6.14
ACD/BCF (pH 7.4): 27252.88
ACD/KOC (pH 7.4): 51978.49
Polar Surface Area: 79 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 442.5±3.0 cm3

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