ChemSpider 2D Image | (7Z)-2-({4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}methyl)-7-[(2-hydroxyethyl)imino]-5-isopropyl-2,4-cycloheptadien-1-one | C30H35F2N3O2

(7Z)-2-({4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}methyl)-7-[(2-hydroxyethyl)imino]-5-isopropyl-2,4-cycloheptadien-1-one

  • Molecular FormulaC30H35F2N3O2
  • Average mass507.615 Da
  • Monoisotopic mass507.269745 Da
  • ChemSpider ID95627014

  • Double-bond stereo - Double-bond stereo

More details:

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

(7Z)-2-({4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}methyl)-7-[(2-hydroxyethyl)imino]-5-isopropyl-2,4-cycloheptadien-1-one [ACD/IUPAC Name]
(7Z)-2-({4-[Bis(4-fluorophényl)méthyl]-1-pipérazinyl}méthyl)-7-[(2-hydroxyéthyl)imino]-5-isopropyl-2,4-cycloheptadién-1-one [French] [ACD/IUPAC Name]
(7Z)-2-({4-[Bis(4-fluorphenyl)methyl]-1-piperazinyl}methyl)-7-[(2-hydroxyethyl)imino]-5-isopropyl-2,4-cycloheptadien-1-on [German] [ACD/IUPAC Name]
2,4-Cycloheptadien-1-one, 2-[[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]methyl]-7-[(2-hydroxyethyl)imino]-5-(1-methylethyl)-, (7Z)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 609.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 322.6±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 142.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 177.50
ACD/KOC (pH 5.5): 998.74
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 590.74
ACD/KOC (pH 7.4): 3323.91
Polar Surface Area: 56 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 41.1±7.0 dyne/cm
Molar Volume: 425.8±7.0 cm3

Click to predict properties on the Chemicalize site


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