ChemSpider 2D Image | 2'-(2-Fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'H)-one | C23H21FN4O

2'-(2-Fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'H)-one

  • Molecular FormulaC23H21FN4O
  • Average mass388.437 Da
  • Monoisotopic mass388.169952 Da
  • ChemSpider ID25058164

More details:

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

2'-(2-Fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'H)-one [ACD/IUPAC Name]
Spiro[azetidine-3,10'-[10H]pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'H)-one, 2'-(2-fluorophenyl)-6',8',9',11'-tetrahydro-1-methyl- [ACD/Index Name]
1105659-16-2 [RN]
INHIB1X

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

Density: 1.4±0.1 g/cm3
Boiling Point: 700.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.4±32.9 °C
Index of Refraction: 1.719
Molar Refractivity: 106.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 2.84
ACD/KOC (pH 7.4): 27.84
Polar Surface Area: 61 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 75.1±5.0 dyne/cm
Molar Volume: 270.0±5.0 cm3

Click to predict properties on the Chemicalize site


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