ChemSpider 2D Image | 3-[5-(4-Morpholinylmethyl)-2(1H)-pyridinylidene]-2-oxo-5-indolinecarbonitrile | C19H18N4O2

3-[5-(4-Morpholinylmethyl)-2(1H)-pyridinylidene]-2-oxo-5-indolinecarbonitrile

  • Molecular FormulaC19H18N4O2
  • Average mass334.372 Da
  • Monoisotopic mass334.142975 Da
  • ChemSpider ID45382226

More details:

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

1H-Indole-5-carbonitrile, 2,3-dihydro-3-[5-(4-morpholinylmethyl)-2(1H)-pyridinylidene]-2-oxo- [ACD/Index Name]
3-[5-(4-Morpholinylmethyl)-2(1H)-pyridinyliden]-2-oxo-5-indolincarbonitril [German] [ACD/IUPAC Name]
3-[5-(4-Morpholinylmethyl)-2(1H)-pyridinylidene]-2-oxo-5-indolinecarbonitrile [ACD/IUPAC Name]
3-[5-(4-Morpholinylméthyl)-2(1H)-pyridinylidène]-2-oxo-5-indolinecarbonitrile [French] [ACD/IUPAC Name]
612487-72-6 [RN]
3-{5-[(Morpholin-4-yl)methyl]pyridin-2(1H)-ylidene}-2-oxo-2,3-dihydro-1H-indole-5-carbonitrile

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

AZD1080 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 603.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 318.8±31.5 °C
Index of Refraction: 1.688
Molar Refractivity: 92.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.29
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.60
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.75
Polar Surface Area: 77 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 243.6±5.0 cm3

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