ChemSpider 2D Image | A778317 | C23H25N3O

A778317

  • Molecular FormulaC23H25N3O
  • Average mass359.464 Da
  • Monoisotopic mass359.199768 Da
  • ChemSpider ID26377526
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-(5-Isochinolinyl)-3-[(1R)-5-(2-methyl-2-propanyl)-2,3-dihydro-1H-inden-1-yl]harnstoff [German] [ACD/IUPAC Name]
1-(5-Isoquinoléinyl)-3-[(1R)-5-(2-méthyl-2-propanyl)-2,3-dihydro-1H-indén-1-yl]urée [French] [ACD/IUPAC Name]
1-(5-Isoquinolinyl)-3-[(1R)-5-(2-methyl-2-propanyl)-2,3-dihydro-1H-inden-1-yl]urea [ACD/IUPAC Name]
A778317
Urea, N-[(1R)-5-(1,1-dimethylethyl)-2,3-dihydro-1H-inden-1-yl]-N'-5-isoquinolinyl- [ACD/Index Name]
1-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-3-isoquinolin-5-ylurea
A 778317
A 778317|A-778317
A-778317

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 527.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.5±27.9 °C
Index of Refraction: 1.647
Molar Refractivity: 109.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 2730.87
ACD/KOC (pH 5.5): 8969.42
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4021.81
ACD/KOC (pH 7.4): 13209.46
Polar Surface Area: 54 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 300.5±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement