ChemSpider 2D Image | N-(1-Formyl-1,2,3,4-tetrahydro-1-naphthalenyl)-1-(N-methylalanyl-3-methylvalyl)-4-(5-nitro-2-pyridinyl)-2-piperazinecarboxamide | C31H41N7O6

N-(1-Formyl-1,2,3,4-tetrahydro-1-naphthalenyl)-1-(N-methylalanyl-3-methylvalyl)-4-(5-nitro-2-pyridinyl)-2-piperazinecarboxamide

  • Molecular FormulaC31H41N7O6
  • Average mass607.701 Da
  • Monoisotopic mass607.311829 Da
  • ChemSpider ID10124266

More details:

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

2-Piperazinecarboxamide, 1-[3,3-dimethyl-2-[[2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-N-(1-formyl-1,2,3,4-tetrahydro-1-naphthalenyl)-4-(5-nitro-2-pyridinyl)- [ACD/Index Name]
N-(1-Formyl-1,2,3,4-tétrahydro-1-naphtalényl)-1-(N-méthylalanyl-3-méthylvalyl)-4-(5-nitro-2-pyridinyl)-2-pipérazinecarboxamide [French] [ACD/IUPAC Name]
N-(1-Formyl-1,2,3,4-tetrahydro-1-naphthalenyl)-1-(N-methylalanyl-3-methylvalyl)-4-(5-nitro-2-pyridinyl)-2-piperazinecarboxamide [ACD/IUPAC Name]
N-(1-Formyl-1,2,3,4-tetrahydro-1-naphthalinyl)-1-(N-methylalanyl-3-methylvalyl)-4-(5-nitro-2-pyridinyl)-2-piperazincarboxamid [German] [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: 885.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.7±3.0 kJ/mol
Flash Point: 489.2±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 163.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 8.05
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 60.68
ACD/KOC (pH 7.4): 437.56
Polar Surface Area: 170 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 465.6±5.0 cm3

Click to predict properties on the Chemicalize site


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