ChemSpider 2D Image | N-[4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-1-oxo-2(1H)-isoquinolinyl]-4-(diethylamino)benzamide | C33H35N5O5

N-[4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-1-oxo-2(1H)-isoquinolinyl]-4-(diethylamino)benzamide

  • Molecular FormulaC33H35N5O5
  • Average mass581.661 Da
  • Monoisotopic mass581.263794 Da
  • ChemSpider ID28949255

More details:

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

Benzamide, N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl]-1-oxo-2(1H)-isoquinolinyl]-4-(diethylamino)- [ACD/Index Name]
N-[4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-1-oxo-2(1H)-isochinolinyl]-4-(diethylamino)benzamid [German] [ACD/IUPAC Name]
N-[4-{[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]carbonyl}-1-oxo-2(1H)-isoquinoléinyl]-4-(diéthylamino)benzamide [French] [ACD/IUPAC Name]
N-[4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-1-oxo-2(1H)-isoquinolinyl]-4-(diethylamino)benzamide [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.693
Molar Refractivity: 162.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 108.38
ACD/KOC (pH 5.5): 740.91
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 299.91
ACD/KOC (pH 7.4): 2050.15
Polar Surface Area: 95 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 71.7±5.0 dyne/cm
Molar Volume: 422.8±5.0 cm3

Click to predict properties on the Chemicalize site


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