ChemSpider 2D Image | 3-{3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-2,5-dihydro-3,5-pyridinedicarboxylate | C30H36N4O7

3-{3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-2,5-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC30H36N4O7
  • Average mass564.629 Da
  • Monoisotopic mass564.258423 Da
  • ChemSpider ID113132

More details:

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

2,6-Diméthyl-4-(3-nitrophényl)-2,5-dihydro-3,5-pyridinedicarboxylate de 3-{3-[4-(2-méthoxyphényl)-1-pipérazinyl]propyle} et de 5-méthyle [French] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 2,5-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl] 5-methyl ester [ACD/Index Name]
3-{3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-2,5-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
3-{3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl}-5-methyl-2,6-dimethyl-4-(3-nitrophenyl)-2,5-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
100305-59-7 [RN]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl methyl ester
3,5-PYRIDINEDICARBOXYLICACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-,3-[3-[4-(2-METHOXYPHENYL)-1-PIPERAZINYL]PROPYL] 5-METHYL ESTER

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

Bmy 20064 [DBID]
Bmy-20064 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.5±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 152.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 7.54
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 127.79
ACD/KOC (pH 5.5): 352.19
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4302.77
ACD/KOC (pH 7.4): 11858.84
Polar Surface Area: 126 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 442.8±7.0 cm3

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