ChemSpider 2D Image | methyl N-[1-[[[5-[[1-(allylcarbamoyl)-2-methyl-propyl]amino]-4-[(4-allylphenyl)methyl]-4-hydroxy-5-oxo-pentyl]-[[4-(2H-thiophen-5-yl)phenyl]methyl]amino]carbamoyl]-2,2-dimethyl-propyl]carbamate | C42H57N5O6S

methyl N-[1-[[[5-[[1-(allylcarbamoyl)-2-methyl-propyl]amino]-4-[(4-allylphenyl)methyl]-4-hydroxy-5-oxo-pentyl]-[[4-(2H-thiophen-5-yl)phenyl]methyl]amino]carbamoyl]-2,2-dimethyl-propyl]carbamate

  • Molecular FormulaC42H57N5O6S
  • Average mass759.997 Da
  • Monoisotopic mass759.402954 Da
  • ChemSpider ID35035071

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.594
Molar Refractivity: 217.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 4
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 6.37
ACD/BCF (pH 5.5): 40934.42
ACD/KOC (pH 5.5): 69590.24
ACD/LogD (pH 7.4): 6.37
ACD/BCF (pH 7.4): 40956.23
ACD/KOC (pH 7.4): 69627.31
Polar Surface Area: 174 Å2
Polarizability: 86.3±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 641.6±5.0 cm3

Click to predict properties on the Chemicalize site


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