ChemSpider 2D Image | 2'-(1,3-Benzodioxol-5-ylcarbonyl)-3'-(2-pyridinylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one | C33H23N3O5

2'-(1,3-Benzodioxol-5-ylcarbonyl)-3'-(2-pyridinylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

  • Molecular FormulaC33H23N3O5
  • Average mass541.553 Da
  • Monoisotopic mass541.163757 Da
  • ChemSpider ID4080555

More details:

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

2'-(1,3-Benzodioxol-5-ylcarbonyl)-3'-(2-pyridinylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one [ACD/IUPAC Name]
Spiro[3H-indole-3,1'(10'bH)-pyrrolo[2,1-a]isoquinolin]-2(1H)-one, 2'-(1,3-benzodioxol-5-ylcarbonyl)-2',3'-dihydro-3'-(2-pyridinylcarbonyl)- [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: 820.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 450.3±34.3 °C
Index of Refraction: 1.763
Molar Refractivity: 148.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4371.04
ACD/KOC (pH 5.5): 14028.02
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4389.46
ACD/KOC (pH 7.4): 14087.15
Polar Surface Area: 98 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 83.9±5.0 dyne/cm
Molar Volume: 358.5±5.0 cm3

Click to predict properties on the Chemicalize site


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