ChemSpider 2D Image | 1,3-bis[[n-[(phenylmethoxy)carbonyl]-l-leucyl]amino]-2-propanone | C31H42N4O7

1,3-bis[[n-[(phenylmethoxy)carbonyl]-l-leucyl]amino]-2-propanone

  • Molecular FormulaC31H42N4O7
  • Average mass582.688 Da
  • Monoisotopic mass582.305359 Da
  • ChemSpider ID4451335

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2-Oxo-1,3-propanediyl)bis{imino[(2S)-4-méthyl-1-oxo-1,2-pentanediyl]}]biscarbamate de dibenzyle [French] [ACD/IUPAC Name]
1,3-bis[[n-[(phenylmethoxy)carbonyl]-l-leucyl]amino]-2-propanone
Carbamic acid, N,N'-[(2-oxo-1,3-propanediyl)bis[imino[(1S)-1-(2-methylpropyl)-2-oxo-2,1-ethanediyl]]]bis-, bis(phenylmethyl) ester [ACD/Index Name]
Dibenzyl [(2-oxo-1,3-propanediyl)bis{imino[(2S)-4-methyl-1-oxo-1,2-pentanediyl]}]biscarbamate [ACD/IUPAC Name]
Dibenzyl-[(2-oxo-1,3-propandiyl)bis{imino[(2S)-4-methyl-1-oxo-1,2-pentandiyl]}]biscarbamat [German] [ACD/IUPAC Name]
145731-49-3 [RN]
CHEMBL281540
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL281540/
SDK
SYMMETRIC DIACYLAMINOETHYL KETONE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 822.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 451.5±34.3 °C
Index of Refraction: 1.542
Molar Refractivity: 156.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 592.30
ACD/KOC (pH 5.5): 3358.84
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 591.85
ACD/KOC (pH 7.4): 3356.29
Polar Surface Area: 152 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 498.7±3.0 cm3

Click to predict properties on the Chemicalize site


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