ChemSpider 2D Image | N-[{3-[(2,4-Difluorophenyl)ethynyl]benzoyl}(propyl)carbamoyl]-S-isobutyl-L-cysteine | C26H28F2N2O4S

N-[{3-[(2,4-Difluorophenyl)ethynyl]benzoyl}(propyl)carbamoyl]-S-isobutyl-L-cysteine

  • Molecular FormulaC26H28F2N2O4S
  • Average mass502.573 Da
  • Monoisotopic mass502.173798 Da
  • ChemSpider ID31130901

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-2-(3-(3-((2,4-difluoropenyl)ethynyl)benzoyl)-3-propylureido)-3-(isobutylthio) propanoic acid
L-Cysteine, N-[[[3-[2-(2,4-difluorophenyl)ethynyl]benzoyl]propylamino]carbonyl]-S-(2-methylpropyl)- [ACD/Index Name]
N-[{3-[(2,4-Difluorophenyl)ethynyl]benzoyl}(propyl)carbamoyl]-S-isobutyl-L-cysteine [ACD/IUPAC Name]
N-[{3-[(2,4-Difluorophényl)éthynyl]benzoyl}(propyl)carbamoyl]-S-isobutyl-L-cystéine [French] [ACD/IUPAC Name]
N-[{3-[(2,4-Difluorphenyl)ethinyl]benzoyl}(propyl)carbamoyl]-S-isobutyl-L-cystein [German] [ACD/IUPAC Name]
(R)-2-(3-(3-((2,4-Difluoropenyl)ethynyl)benzoyl)-3-Propylureido)-3-(Isobutylthio)propanoic Acid
X0D

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.598
Molar Refractivity: 131.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 10.14
ACD/KOC (pH 5.5): 31.49
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.08
Polar Surface Area: 112 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 386.7±5.0 cm3

Click to predict properties on the Chemicalize site


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