ChemSpider 2D Image | 1-(3-{[2-Chloro-4-({[(2S)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro-5-quinolinyl)ethyl]amino}methyl)-5-methoxyphenyl]amino}-3-oxopropyl)-4-piperidinyl 2-biphenylylcarbamate | C40H42ClN5O7

1-(3-{[2-Chloro-4-({[(2S)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro-5-quinolinyl)ethyl]amino}methyl)-5-methoxyphenyl]amino}-3-oxopropyl)-4-piperidinyl 2-biphenylylcarbamate

  • Molecular FormulaC40H42ClN5O7
  • Average mass740.244 Da
  • Monoisotopic mass739.277283 Da
  • ChemSpider ID113589620

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(3-{[2-Chlor-4-({[(2S)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro-5-chinolinyl)ethyl]amino}methyl)-5-methoxyphenyl]amino}-3-oxopropyl)-4-piperidinyl-2-biphenylylcarbamat [German] [ACD/IUPAC Name]
1-(3-{[2-Chloro-4-({[(2S)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro-5-quinolinyl)ethyl]amino}methyl)-5-methoxyphenyl]amino}-3-oxopropyl)-4-piperidinyl 2-biphenylylcarbamate [ACD/IUPAC Name]
2-Biphénylylcarbamate de 1-(3-{[2-chloro-4-({[(2S)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro-5-quinoléinyl)éthyl]amino}méthyl)-5-méthoxyphényl]amino}-3-oxopropyl)-4-pipéridinyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[1,1'-biphenyl]-2-yl-, 1-[3-[[2-chloro-4-[[[(2S)-2-(1,2-dihydro-8-hydroxy-2-oxo-5-quinolinyl)-2-hydroxyethyl]amino]methyl]-5-methoxyphenyl]amino]-3-oxopropyl]-4-piperidinyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 948.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.6±3.0 kJ/mol
Flash Point: 527.3±34.3 °C
Index of Refraction: 1.692
Molar Refractivity: 200.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 4
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.05
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 771.44
ACD/KOC (pH 7.4): 2740.44
Polar Surface Area: 161 Å2
Polarizability: 79.7±0.5 10-24cm3
Surface Tension: 75.7±5.0 dyne/cm
Molar Volume: 524.5±5.0 cm3

Click to predict properties on the Chemicalize site


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