ChemSpider 2D Image | 4-{[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl][2-(1H-indol-3-yl)ethyl]amino}-N-[3-(4-morpholinyl)propyl]tetrahydro-2H-thiopyran-4-carboxamide | C33H39N5O5S

4-{[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl][2-(1H-indol-3-yl)ethyl]amino}-N-[3-(4-morpholinyl)propyl]tetrahydro-2H-thiopyran-4-carboxamide

  • Molecular FormulaC33H39N5O5S
  • Average mass617.758 Da
  • Monoisotopic mass617.267212 Da
  • ChemSpider ID57573882

More details:

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

2H-Isoindole-2-acetamide, 1,3-dihydro-N-[2-(1H-indol-3-yl)ethyl]-1,3-dioxo-N-[tetrahydro-4-[[[3-(4-morpholinyl)propyl]amino]carbonyl]-2H-thiopyran-4-yl]- [ACD/Index Name]
4-{[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl][2-(1H-indol-3-yl)ethyl]amino}-N-[3-(4-morpholinyl)propyl]tetrahydro-2H-thiopyran-4-carboxamid [German] [ACD/IUPAC Name]
4-{[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl][2-(1H-indol-3-yl)ethyl]amino}-N-[3-(4-morpholinyl)propyl]tetrahydro-2H-thiopyran-4-carboxamide [ACD/IUPAC Name]
4-{[2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acétyl][2-(1H-indol-3-yl)éthyl]amino}-N-[3-(4-morpholinyl)propyl]tétrahydro-2H-thiopyrane-4-carboxamide [French] [ACD/IUPAC Name]
4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl][2-(1H-indol-3-yl)ethyl]amino}-N-[3-(morpholin-4-yl)propyl]tetrahydro-2H-thiopyran-4-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 888.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.2±3.0 kJ/mol
Flash Point: 491.3±34.3 °C
Index of Refraction: 1.685
Molar Refractivity: 170.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 3.17
ACD/KOC (pH 5.5): 26.87
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 91.56
ACD/KOC (pH 7.4): 774.75
Polar Surface Area: 140 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 73.4±5.0 dyne/cm
Molar Volume: 448.2±5.0 cm3

Click to predict properties on the Chemicalize site


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