ChemSpider 2D Image | 3-Chloro-5-({6-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydro-4-pyridinyl}oxy)benzonitrile | C25H23ClN4O3

3-Chloro-5-({6-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydro-4-pyridinyl}oxy)benzonitrile

  • Molecular FormulaC25H23ClN4O3
  • Average mass462.928 Da
  • Monoisotopic mass462.145874 Da
  • ChemSpider ID24571194

More details:

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

3-Chlor-5-({6-[2-(3,4-dihydro-2(1H)-isochinolinyl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydro-4-pyridinyl}oxy)benzonitril [German] [ACD/IUPAC Name]
3-Chloro-5-({6-[2-(3,4-dihydro-2(1H)-isoquinoléinyl)-2-oxoéthyl]-3-(diméthylamino)-2-oxo-1,2-dihydro-4-pyridinyl}oxy)benzonitrile [French] [ACD/IUPAC Name]
3-Chloro-5-({6-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydro-4-pyridinyl}oxy)benzonitrile [ACD/IUPAC Name]
3-chloro-5-({6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydropyridin-4-yl}oxy)benzonitrile
Benzonitrile, 3-chloro-5-[[6-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-3-(dimethylamino)-1,2-dihydro-2-oxo-4-pyridinyl]oxy]- [ACD/Index Name]
3OB

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

Density: 1.4±0.1 g/cm3
Boiling Point: 674.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 361.7±31.5 °C
Index of Refraction: 1.683
Molar Refractivity: 124.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 5.09
ACD/KOC (pH 5.5): 31.39
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 5.09
ACD/KOC (pH 7.4): 31.39
Polar Surface Area: 90 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 75.6±5.0 dyne/cm
Molar Volume: 329.2±5.0 cm3

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