ChemSpider 2D Image | 2-[4-(Diphenylmethyl)-1-piperazinyl]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-4,5-dihydro-3-pyridinecarboxylate | C38H45N4O7P

2-[4-(Diphenylmethyl)-1-piperazinyl]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-4,5-dihydro-3-pyridinecarboxylate

  • Molecular FormulaC38H45N4O7P
  • Average mass700.760 Da
  • Monoisotopic mass700.302612 Da
  • ChemSpider ID95590178

More details:

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

2-[4-(Diphenylmethyl)-1-piperazinyl]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-4,5-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
2-[4-(Diphenylmethyl)-1-piperazinyl]ethyl-5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-4,5-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-4,5-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[4-(diphenylmethyl)-1-piperazinyl]ethyl ester [ACD/Index Name]
5-(5,5-Diméthyl-2-oxydo-1,3,2-dioxaphosphinan-2-yl)-2,6-diméthyl-4-(3-nitrophényl)-4,5-dihydro-3-pyridinecarboxylate de 2-[4-(diphénylméthyl)-1-pipérazinyl]éthyle [French] [ACD/IUPAC 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: 770.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 420.0±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 191.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 466.55
ACD/KOC (pH 5.5): 1551.78
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3544.53
ACD/KOC (pH 7.4): 11789.30
Polar Surface Area: 136 Å2
Polarizability: 75.9±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 539.7±7.0 cm3

Click to predict properties on the Chemicalize site


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