ChemSpider 2D Image | 2'-[2-(1,3-Benzodioxol-5-yl)-4-pyrimidinyl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one | C22H21N5O3

2'-[2-(1,3-Benzodioxol-5-yl)-4-pyrimidinyl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one

  • Molecular FormulaC22H21N5O3
  • Average mass403.434 Da
  • Monoisotopic mass403.164429 Da
  • ChemSpider ID26325223

More details:

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

2'-[2-(1,3-Benzodioxol-5-yl)-4-pyrimidinyl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one [ACD/IUPAC Name]
2'-[2-(1,3-Benzodioxol-5-Yl)pyrimidin-4-Yl]-5',6'-Dihydrospiro[piperidine-4,7'-Pyrrolo[3,2-C]pyridin]-4'(1'h)-One
Spiro[piperidine-4,7'-[7H]pyrrolo[3,2-c]pyridin]-4'(1'H)-one, 2'-[2-(1,3-benzodioxol-5-yl)-4-pyrimidinyl]-5',6'-dihydro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 699.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.7±31.5 °C
Index of Refraction: 1.722
Molar Refractivity: 107.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 85.4±5.0 dyne/cm
Molar Volume: 271.6±5.0 cm3

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