ChemSpider 2D Image | 4-{[(4-{4-[3-(Dimethylamino)propyl]-1-piperazinyl}-6-phenyl-2-pyridinyl)carbonyl]amino}-5-oxo-5-{4-[(pentyloxy)carbonyl]-1-piperazinyl}pentanoic acid | C36H53N7O6

4-{[(4-{4-[3-(Dimethylamino)propyl]-1-piperazinyl}-6-phenyl-2-pyridinyl)carbonyl]amino}-5-oxo-5-{4-[(pentyloxy)carbonyl]-1-piperazinyl}pentanoic acid

  • Molecular FormulaC36H53N7O6
  • Average mass679.849 Da
  • Monoisotopic mass679.405762 Da
  • ChemSpider ID24643893

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperazinepentanoic acid, γ-[[[4-[4-[3-(dimethylamino)propyl]-1-piperazinyl]-6-phenyl-2-pyridinyl]carbonyl]amino]-δ-oxo-4-[(pentyloxy)carbonyl]- [ACD/Index Name]
4-{[(4-{4-[3-(Dimethylamino)propyl]-1-piperazinyl}-6-phenyl-2-pyridinyl)carbonyl]amino}-5-oxo-5-{4-[(pentyloxy)carbonyl]-1-piperazinyl}pentanoic acid [ACD/IUPAC Name]
4-{[(4-{4-[3-(Dimethylamino)propyl]-1-piperazinyl}-6-phenyl-2-pyridinyl)carbonyl]amino}-5-oxo-5-{4-[(pentyloxy)carbonyl]-1-piperazinyl}pentansäure [German] [ACD/IUPAC Name]
Acide 4-{[(4-{4-[3-(diméthylamino)propyl]-1-pipérazinyl}-6-phényl-2-pyridinyl)carbonyl]amino}-5-oxo-5-{4-[(pentyloxy)carbonyl]-1-pipérazinyl}pentanoïque [French] [ACD/IUPAC 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: 866.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±3.0 kJ/mol
Flash Point: 477.5±34.3 °C
Index of Refraction: 1.569
Molar Refractivity: 186.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 2.92
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.60
Polar Surface Area: 139 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 568.9±3.0 cm3

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