ChemSpider 2D Image | S-(4-Bromobenzyl)-N-[{3-[(2,4-difluorophenyl)ethynyl]benzoyl}(propyl)carbamoyl]-L-cysteine | C29H25BrF2N2O4S

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

  • Molecular FormulaC29H25BrF2N2O4S
  • Average mass615.486 Da
  • Monoisotopic mass614.068665 Da
  • ChemSpider ID31130902

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-3-(4-Bromobenzylthio)-2-(3-(3-((2,4-Difluorophenyl)ethynyl)benzoyl)-3-Propylureido)propanoic Acid
L-Cysteine, S-[(4-bromophenyl)methyl]-N-[[[3-[2-(2,4-difluorophenyl)ethynyl]benzoyl]propylamino]carbonyl]- [ACD/Index Name]
S-(4-Brombenzyl)-N-[{3-[(2,4-difluorphenyl)ethinyl]benzoyl}(propyl)carbamoyl]-L-cystein [German] [ACD/IUPAC Name]
S-(4-Bromobenzyl)-N-[{3-[(2,4-difluorophenyl)ethynyl]benzoyl}(propyl)carbamoyl]-L-cysteine [ACD/IUPAC Name]
S-(4-Bromobenzyl)-N-[{3-[(2,4-difluorophényl)éthynyl]benzoyl}(propyl)carbamoyl]-L-cystéine [French] [ACD/IUPAC Name]
X0R

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 150.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.78
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 76.62
ACD/KOC (pH 5.5): 132.25
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 7.80
ACD/KOC (pH 7.4): 13.46
Polar Surface Area: 112 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 408.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement