ChemSpider 2D Image | {6-[(2Z)-2-Chloro-3-phenyl-2-propen-1-yl]-6-azaspiro[2.5]oct-1-yl}(4-methyl-1,4-diazepan-1-yl)methanone | C23H32ClN3O

{6-[(2Z)-2-Chloro-3-phenyl-2-propen-1-yl]-6-azaspiro[2.5]oct-1-yl}(4-methyl-1,4-diazepan-1-yl)methanone

  • Molecular FormulaC23H32ClN3O
  • Average mass401.973 Da
  • Monoisotopic mass401.223389 Da
  • ChemSpider ID22868477

  • Double-bond stereo - Double-bond stereo

More details:

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

{6-[(2Z)-2-Chlor-3-phenyl-2-propen-1-yl]-6-azaspiro[2.5]oct-1-yl}(4-methyl-1,4-diazepan-1-yl)methanon [German] [ACD/IUPAC Name]
{6-[(2Z)-2-Chloro-3-phenyl-2-propen-1-yl]-6-azaspiro[2.5]oct-1-yl}(4-methyl-1,4-diazepan-1-yl)methanone [ACD/IUPAC Name]
{6-[(2Z)-2-Chloro-3-phényl-2-propén-1-yl]-6-azaspiro[2.5]oct-1-yl}(4-méthyl-1,4-diazépan-1-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [6-[(2Z)-2-chloro-3-phenyl-2-propen-1-yl]-6-azaspiro[2.5]oct-1-yl](hexahydro-4-methyl-1H-1,4-diazepin-1-yl)- [ACD/Index Name]
6-[(2Z)-2-chloro-3-phenyl-2-propen-1-yl]-1-[(4-methyl-1,4-diazepan-1-yl)carbonyl]-6-azaspiro[2.5]octane

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

Density: 1.2±0.1 g/cm3
Boiling Point: 565.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 295.5±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 115.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.16
ACD/KOC (pH 7.4): 8.00
Polar Surface Area: 27 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 333.2±5.0 cm3

Click to predict properties on the Chemicalize site


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