ChemSpider 2D Image | 4-[({4-[4-(Dimethylcarbamoyl)-1-piperazinyl]-6-phenyl-2-pyridinyl}carbonyl)amino]-5-oxo-5-{4-[(pentyloxy)carbonyl]-1-piperazinyl}pentanoic acid | C34H47N7O7

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

  • Molecular FormulaC34H47N7O7
  • Average mass665.780 Da
  • Monoisotopic mass665.353699 Da
  • ChemSpider ID24652828

  • 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-[(dimethylamino)carbonyl]-1-piperazinyl]-6-phenyl-2-pyridinyl]carbonyl]amino]-δ-oxo-4-[(pentyloxy)carbonyl]- [ACD/Index Name]
4-[({4-[4-(Dimethylcarbamoyl)-1-piperazinyl]-6-phenyl-2-pyridinyl}carbonyl)amino]-5-oxo-5-{4-[(pentyloxy)carbonyl]-1-piperazinyl}pentanoic acid [ACD/IUPAC Name]
4-[({4-[4-(Dimethylcarbamoyl)-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-(diméthylcarbamoyl)-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: 1.3±0.1 g/cm3
Boiling Point: 895.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.3±3.0 kJ/mol
Flash Point: 495.3±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 176.9±0.3 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.90
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 529.6±3.0 cm3

Click to predict properties on the Chemicalize site


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