ChemSpider 2D Image | 1-(5-{[4-(2-{[(2R)-2-Hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro-5-quinolinyl)ethyl]amino}ethyl)phenyl]amino}pentyl)-4-piperidinyl 2-biphenylylcarbamate | C42H49N5O5

1-(5-{[4-(2-{[(2R)-2-Hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro-5-quinolinyl)ethyl]amino}ethyl)phenyl]amino}pentyl)-4-piperidinyl 2-biphenylylcarbamate

  • Molecular FormulaC42H49N5O5
  • Average mass703.869 Da
  • Monoisotopic mass703.373352 Da
  • ChemSpider ID8660315

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(5-{[4-(2-{[(2R)-2-Hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro-5-chinolinyl)ethyl]amino}ethyl)phenyl]amino}pentyl)-4-piperidinyl-2-biphenylylcarbamat [German] [ACD/IUPAC Name]
1-(5-{[4-(2-{[(2R)-2-Hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro-5-quinolinyl)ethyl]amino}ethyl)phenyl]amino}pentyl)-4-piperidinyl 2-biphenylylcarbamate [ACD/IUPAC Name]
2-Biphénylylcarbamate de 1-(5-{[4-(2-{[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro-5-quinoléinyl)éthyl]amino}éthyl)phényl]amino}pentyl)-4-pipéridinyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[1,1'-biphenyl]-2-yl-, 1-[5-[[4-[2-[[(2R)-2-(1,2-dihydro-8-hydroxy-2-oxo-5-quinolinyl)-2-hydroxyethyl]amino]ethyl]phenyl]amino]pentyl]-4-piperidinyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 911.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.9±3.0 kJ/mol
Flash Point: 505.2±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 203.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 4
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.29
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 35.50
ACD/KOC (pH 7.4): 101.07
Polar Surface Area: 135 Å2
Polarizability: 80.7±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 543.7±5.0 cm3

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