ChemSpider 2D Image | 2-[4-(3,4-Dichlorophenyl)-1-piperazinyl]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate | C28H30Cl2N4O6

2-[4-(3,4-Dichlorophenyl)-1-piperazinyl]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC28H30Cl2N4O6
  • Average mass589.467 Da
  • Monoisotopic mass588.154236 Da
  • ChemSpider ID129040

More details:






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

2,6-Diméthyl-4-(3-nitrophényl)-1,4-dihydro-3,5-pyridinedicarboxylate de 2-[4-(3,4-dichlorophényl)-1-pipérazinyl]éthyle et de méthyle [French] [ACD/IUPAC Name]
2-[4-(3,4-Dichlorophenyl)-1-piperazinyl]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
2-[4-(3,4-Dichlorphenyl)-1-piperazinyl]ethyl-methyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[4-(3,4-dichlorophenyl)-1-piperazinyl]ethyl methyl ester [ACD/Index Name]
2-[4-(3,4-DICHLOROPHENYL)PIPERAZIN-1-YL]ETHYL METHYL 2,6-DIMETHYL-4-(3 -NITROPHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(3,4-dichlorophenyl)-1-piperazinyl)ethyl methyl ester
91040-25-4 [RN]

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

P 0285 [DBID]
P-0285 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 728.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.5±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 150.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 6503.37
ACD/KOC (pH 5.5): 14895.16
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 14169.21
ACD/KOC (pH 7.4): 32452.82
Polar Surface Area: 117 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 441.5±3.0 cm3

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