ChemSpider 2D Image | {4-[(N-{3-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}-L-phenylalanyl)amino]phenyl}acetic acid | C27H25ClN6O4

{4-[(N-{3-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}-L-phenylalanyl)amino]phenyl}acetic acid

  • Molecular FormulaC27H25ClN6O4
  • Average mass532.978 Da
  • Monoisotopic mass532.162598 Da
  • ChemSpider ID35034164

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{4-[(N-{3-[5-Chlor-2-(1H-tetrazol-1-yl)phenyl]propanoyl}-L-phenylalanyl)amino]phenyl}essigsäure [German] [ACD/IUPAC Name]
{4-[(N-{3-[5-Chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}-L-phenylalanyl)amino]phenyl}acetic acid [ACD/IUPAC Name]
Acide {4-[(N-{3-[5-chloro-2-(1H-tétrazol-1-yl)phényl]propanoyl}-L-phénylalanyl)amino]phényl}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[[(2S)-2-[[3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]- [ACD/Index Name]
O58

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 144.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 9.76
ACD/KOC (pH 5.5): 82.01
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.32
Polar Surface Area: 139 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 57.7±7.0 dyne/cm
Molar Volume: 385.3±7.0 cm3

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