ChemSpider 2D Image | 4-[({4-[3-(Diethylamino)propyl]-6-phenyl-2-pyridinyl}carbonyl)amino]-5-oxo-5-{4-[(pentyloxy)carbonyl]-1-piperazinyl}pentanoic acid | C34H49N5O6

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

  • Molecular FormulaC34H49N5O6
  • Average mass623.783 Da
  • Monoisotopic mass623.368286 Da
  • ChemSpider ID24645067

  • 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-[3-(diethylamino)propyl]-6-phenyl-2-pyridinyl]carbonyl]amino]-δ-oxo-4-[(pentyloxy)carbonyl]- [ACD/Index Name]
4-[({4-[3-(Diethylamino)propyl]-6-phenyl-2-pyridinyl}carbonyl)amino]-5-oxo-5-{4-[(pentyloxy)carbonyl]-1-piperazinyl}pentanoic acid [ACD/IUPAC Name]
4-[({4-[3-(Diethylamino)propyl]-6-phenyl-2-pyridinyl}carbonyl)amino]-5-oxo-5-{4-[(pentyloxy)carbonyl]-1-piperazinyl}pentansäure [German] [ACD/IUPAC Name]
Acide 4-[({4-[3-(diéthylamino)propyl]-6-phényl-2-pyridinyl}carbonyl)amino]-5-oxo-5-{4-[(pentyloxy)carbonyl]-1-pipérazinyl}pentanoïque [French] [ACD/IUPAC Name]
(4S)-4-[({4-[3-(Diethylamino)propyl]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 796.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.4±3.0 kJ/mol
Flash Point: 435.3±32.9 °C
Index of Refraction: 1.558
Molar Refractivity: 172.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 11.21
ACD/KOC (pH 5.5): 37.52
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 11.94
ACD/KOC (pH 7.4): 39.98
Polar Surface Area: 132 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 533.8±3.0 cm3

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