ChemSpider 2D Image | [1-({N-[2-(Methoxycarbonyl)-2,3-dihydro-1H-inden-2-yl]leucyl}amino)-4-(methylsulfanyl)-1-oxo-2-butanyl]imidoformic acid | C23H33N3O5S

[1-({N-[2-(Methoxycarbonyl)-2,3-dihydro-1H-inden-2-yl]leucyl}amino)-4-(methylsulfanyl)-1-oxo-2-butanyl]imidoformic acid

  • Molecular FormulaC23H33N3O5S
  • Average mass463.590 Da
  • Monoisotopic mass463.214081 Da
  • ChemSpider ID68024628

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

[1-({N-[2-(Methoxycarbonyl)-2,3-dihydro-1H-inden-2-yl]leucyl}amino)-4-(methylsulfanyl)-1-oxo-2-butanyl]imidoameisensäure [German] [ACD/IUPAC Name]
[1-({N-[2-(Methoxycarbonyl)-2,3-dihydro-1H-inden-2-yl]leucyl}amino)-4-(methylsulfanyl)-1-oxo-2-butanyl]imidoformic acid [ACD/IUPAC Name]
1H-Indene-2-carboxylic acid, 2,3-dihydro-2-[[(1R)-1-[[[2-[[(1E)-hydroxymethylene]amino]-4-(methylthio)-1-oxobutyl]amino]carbonyl]-3-methylbutyl]amino]-, methyl ester [ACD/Index Name]
Acide [1-({N-[2-(méthoxycarbonyl)-2,3-dihydro-1H-indén-2-yl]leucyl}amino)-4-(méthylsulfanyl)-1-oxo-2-butanyl]imidoformique [French] [ACD/IUPAC Name]

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: 1.588
Molar Refractivity: 125.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 194.89
ACD/KOC (pH 5.5): 1496.34
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 171.51
ACD/KOC (pH 7.4): 1316.86
Polar Surface Area: 142 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 371.7±7.0 cm3

Click to predict properties on the Chemicalize site


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