ChemSpider 2D Image | (2-Methyl-1-{[1-(~2~H_3_)methyl-2-piperidinyl](~2~H_2_)methyl}-6-nitro-1H-indol-3-yl)(1-naphthyl)methanone | C27H22D5N3O3

(2-Methyl-1-{[1-(2H3)methyl-2-piperidinyl](2H2)methyl}-6-nitro-1H-indol-3-yl)(1-naphthyl)methanone

  • Molecular FormulaC27H22D5N3O3
  • Average mass446.552 Da
  • Monoisotopic mass446.236633 Da
  • ChemSpider ID58784269

  • Non-standard isotope - Non-standard isotope

More details:

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

(2-Methyl-1-{[1-(2H3)methyl-2-piperidinyl](2H2)methyl}-6-nitro-1H-indol-3-yl)(1-naphthyl)methanon [German] [ACD/IUPAC Name]
(2-Methyl-1-{[1-(2H3)methyl-2-piperidinyl](2H2)methyl}-6-nitro-1H-indol-3-yl)(1-naphthyl)methanone [ACD/IUPAC Name]
(2-Méthyl-1-{[1-(2H3)méthyl-2-pipéridinyl](2H2)méthyl}-6-nitro-1H-indol-3-yl)(1-naphtyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [2-methyl-1-[[1-(methyl-d3)-2-piperidinyl]methyl-d2]-6-nitro-1H-indol-3-yl]-1-naphthalenyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 624.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.6±30.1 °C
Index of Refraction: 1.662
Molar Refractivity: 128.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 6.97
ACD/KOC (pH 5.5): 18.78
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 48.04
ACD/KOC (pH 7.4): 129.50
Polar Surface Area: 71 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 346.7±7.0 cm3

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