ChemSpider 2D Image | (4R)-4-{[S-(2-Aminoethyl)-L-cysteinyl](hydroxy)amino}-1-[3-(1,3-diphenyl-1H-pyrazol-4-yl)propanoyl]-L-prolinamide | C28H35N7O4S

(4R)-4-{[S-(2-Aminoethyl)-L-cysteinyl](hydroxy)amino}-1-[3-(1,3-diphenyl-1H-pyrazol-4-yl)propanoyl]-L-prolinamide

  • Molecular FormulaC28H35N7O4S
  • Average mass565.687 Da
  • Monoisotopic mass565.247131 Da
  • ChemSpider ID34519634

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4R)-4-{[S-(2-Aminoethyl)-L-cysteinyl](hydroxy)amino}-1-[3-(1,3-diphenyl-1H-pyrazol-4-yl)propanoyl]-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-4-{[S-(2-Aminoethyl)-L-cysteinyl](hydroxy)amino}-1-[3-(1,3-diphenyl-1H-pyrazol-4-yl)propanoyl]-L-prolinamide [ACD/IUPAC Name]
(4R)-4-{[S-(2-Aminoéthyl)-L-cystéinyl](hydroxy)amino}-1-[3-(1,3-diphényl-1H-pyrazol-4-yl)propanoyl]-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 4-[[(2R)-2-amino-3-[(2-aminoethyl)thio]-1-oxopropyl]hydroxyamino]-1-[3-(1,3-diphenyl-1H-pyrazol-4-yl)-1-oxopropyl]-, (2S,4R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 883.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.5±3.0 kJ/mol
Flash Point: 488.2±37.1 °C
Index of Refraction: 1.693
Molar Refractivity: 153.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.47
ACD/LogD (pH 5.5): -3.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 64.4±7.0 dyne/cm
Molar Volume: 399.5±7.0 cm3

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