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Search term: QAKYHAKXEMRNAJ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-Methoxy-6-[3-(4-morpholinyl)propyl]-2-[3-(1-piperidinyl)propoxy]-5H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione | C33H39N3O7

3-Methoxy-6-[3-(4-morpholinyl)propyl]-2-[3-(1-piperidinyl)propoxy]-5H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione

  • Molecular FormulaC33H39N3O7
  • Average mass589.679 Da
  • Monoisotopic mass589.278809 Da
  • ChemSpider ID34257746

More details:

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

3-Methoxy-6-[3-(4-morpholinyl)propyl]-2-[3-(1-piperidinyl)propoxy]-5H-[1,3]dioxolo[5,6]indeno[1,2-c]isochinolin-5,12(6H)-dion [German] [ACD/IUPAC Name]
3-Méthoxy-6-[3-(4-morpholinyl)propyl]-2-[3-(1-pipéridinyl)propoxy]-5H-[1,3]dioxolo[5,6]indéno[1,2-c]isoquinoléine-5,12(6H)-dione [French] [ACD/IUPAC Name]
3-Methoxy-6-[3-(4-morpholinyl)propyl]-2-[3-(1-piperidinyl)propoxy]-5H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione [ACD/IUPAC Name]
5H-[1,3]Dioxolo[5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione, 3-methoxy-6-[3-(4-morpholinyl)propyl]-2-[3-(1-piperidinyl)propoxy]- [ACD/Index 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: 807.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 442.3±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 158.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.77
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.44
ACD/KOC (pH 7.4): 11.79
Polar Surface Area: 90 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 429.7±5.0 cm3

Click to predict properties on the Chemicalize site


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