ChemSpider 2D Image | 2-[(N-{[2-Cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinyl]carbonyl}glycyl)amino]-N,N-diethylethanaminium | C31H43N4O4

2-[(N-{[2-Cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinyl]carbonyl}glycyl)amino]-N,N-diethylethanaminium

  • Molecular FormulaC31H43N4O4
  • Average mass535.697 Da
  • Monoisotopic mass535.327881 Da
  • ChemSpider ID24813054

  • Charge - Charge

More details:

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

2-[(N-{[2-Cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydro-4-isochinolinyl]carbonyl}glycyl)amino]-N,N-diethylethanaminium [German] [ACD/IUPAC Name]
2-[(N-{[2-Cyclohexyl-3-(4-méthoxyphényl)-1-oxo-1,2,3,4-tétrahydro-4-isoquinoléinyl]carbonyl}glycyl)amino]-N,N-diéthyléthanaminium [French] [ACD/IUPAC Name]
2-[(N-{[2-Cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinyl]carbonyl}glycyl)amino]-N,N-diethylethanaminium [ACD/IUPAC Name]
4-Isoquinolinecarboxamide, 2-cyclohexyl-N-[2-[[2-(diethylamino)ethyl]amino]-2-oxoethyl]-1,2,3,4-tetrahydro-3-(4-methoxyphenyl)-1-oxo-, conjugate monoacid [ACD/Index Name]
ZINC09776301

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

Density:
Boiling Point: 761.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 414.5±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.70
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 3.90
ACD/KOC (pH 7.4): 28.99
Polar Surface Area: 92 Å2
Polarizability:
Surface Tension:
Molar Volume:

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