ChemSpider 2D Image | (2E)-N-[2-(3-{(2-Amino-2-oxoethyl)[2-(dimethylamino)ethyl]amino}-3-oxopropyl)-3-(1H-imidazol-2-yl)-1-oxo-1,2,3,4-tetrahydro-7-isoquinolinyl]-2-nonenamide | C30H43N7O4

(2E)-N-[2-(3-{(2-Amino-2-oxoethyl)[2-(dimethylamino)ethyl]amino}-3-oxopropyl)-3-(1H-imidazol-2-yl)-1-oxo-1,2,3,4-tetrahydro-7-isoquinolinyl]-2-nonenamide

  • Molecular FormulaC30H43N7O4
  • Average mass565.707 Da
  • Monoisotopic mass565.337646 Da
  • ChemSpider ID8026618

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-[2-(3-{(2-Amino-2-oxoethyl)[2-(dimethylamino)ethyl]amino}-3-oxopropyl)-3-(1H-imidazol-2-yl)-1-oxo-1,2,3,4-tetrahydro-7-isochinolinyl]-2-nonenamid [German] [ACD/IUPAC Name]
(2E)-N-[2-(3-{(2-Amino-2-oxoéthyl)[2-(diméthylamino)éthyl]amino}-3-oxopropyl)-3-(1H-imidazol-2-yl)-1-oxo-1,2,3,4-tétrahydro-7-isoquinoléinyl]-2-nonénamide [French] [ACD/IUPAC Name]
(2E)-N-[2-(3-{(2-Amino-2-oxoethyl)[2-(dimethylamino)ethyl]amino}-3-oxopropyl)-3-(1H-imidazol-2-yl)-1-oxo-1,2,3,4-tetrahydro-7-isoquinolinyl]-2-nonenamide [ACD/IUPAC Name]
2(1H)-Isoquinolinepropanamide, N-(2-amino-2-oxoethyl)-N-[2-(dimethylamino)ethyl]-3,4-dihydro-3-(1H-imidazol-2-yl)-1-oxo-7-[[(2E)-1-oxo-2-nonen-1-yl]amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 881.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.2±3.0 kJ/mol
Flash Point: 487.2±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 158.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 1.63
ACD/LogD (pH 5.5): -1.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 20.09
Polar Surface Area: 145 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 467.3±3.0 cm3

Click to predict properties on the Chemicalize site


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