ChemSpider 2D Image | 2-{6-[(4-Iodophenyl)amino]-2-(2-methoxyethyl)-4-pyrimidinyl}-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one | C25H26IN5O2

2-{6-[(4-Iodophenyl)amino]-2-(2-methoxyethyl)-4-pyrimidinyl}-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one

  • Molecular FormulaC25H26IN5O2
  • Average mass555.411 Da
  • Monoisotopic mass555.113098 Da
  • ChemSpider ID121411812

More details:

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

2-{6-[(4-Iodophényl)amino]-2-(2-méthoxyéthyl)-4-pyrimidinyl}-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinoléin-4-one [French] [ACD/IUPAC Name]
2-{6-[(4-Iodophenyl)amino]-2-(2-methoxyethyl)-4-pyrimidinyl}-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one [ACD/IUPAC Name]
2-{6-[(4-Iodphenyl)amino]-2-(2-methoxyethyl)-4-pyrimidinyl}-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isochinolin-4-on [German] [ACD/IUPAC Name]
4H-Pyrazino[2,1-a]isoquinolin-4-one, 1,2,3,6,7,11b-hexahydro-2-[6-[(4-iodophenyl)amino]-2-(2-methoxyethyl)-4-pyrimidinyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 701.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 377.9±32.9 °C
Index of Refraction: 1.712
Molar Refractivity: 135.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1032.88
ACD/KOC (pH 5.5): 4016.18
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2202.06
ACD/KOC (pH 7.4): 8562.35
Polar Surface Area: 71 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 74.6±5.0 dyne/cm
Molar Volume: 346.1±5.0 cm3

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