ChemSpider 2D Image | 2-Isobutyl-6,7-dimethoxy-N-{3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl}-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide | C30H40N4O5

2-Isobutyl-6,7-dimethoxy-N-{3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl}-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide

  • Molecular FormulaC30H40N4O5
  • Average mass536.662 Da
  • Monoisotopic mass536.299866 Da
  • ChemSpider ID4480071

More details:






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

2-Isobutyl-6,7-dimethoxy-N-{3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl}-1-oxo-1,2-dihydro-4-isochinolincarboxamid [German] [ACD/IUPAC Name]
2-Isobutyl-6,7-diméthoxy-N-{3-[4-(4-méthoxyphényl)-1-pipérazinyl]propyl}-1-oxo-1,2-dihydro-4-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
2-Isobutyl-6,7-dimethoxy-N-{3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl}-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide [ACD/IUPAC Name]
4-Isoquinolinecarboxamide, 1,2-dihydro-6,7-dimethoxy-N-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-(2-methylpropyl)-1-oxo- [ACD/Index Name]

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

UNM000000725501 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 761.4±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: 414.3±32.9 °C
Index of Refraction: 1.568
Molar Refractivity: 150.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.35
ACD/KOC (pH 5.5): 13.14
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 46.10
ACD/KOC (pH 7.4): 450.38
Polar Surface Area: 84 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 459.9±3.0 cm3

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