ChemSpider 2D Image | N-({1-[(2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinyl)carbonyl]-4-phenyl-4-piperidinyl}carbonyl)isoleucine | C33H43N3O6

N-({1-[(2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinyl)carbonyl]-4-phenyl-4-piperidinyl}carbonyl)isoleucine

  • Molecular FormulaC33H43N3O6
  • Average mass577.711 Da
  • Monoisotopic mass577.315186 Da
  • ChemSpider ID4053944

More details:

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

2(1H)-Isoquinolinecarboxylic acid, 3-[[4-[[(1-carboxy-2-methylbutyl)amino]carbonyl]-4-phenyl-1-piperidinyl]carbonyl]-3,4-dihydro-, 2-(1,1-dimethylethyl) ester [ACD/Index Name]
N-({1-[(2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isochinolinyl)carbonyl]-4-phenyl-4-piperidinyl}carbonyl)isoleucin [German] [ACD/IUPAC Name]
N-({1-[(2-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tétrahydro-3-isoquinoléinyl)carbonyl]-4-phényl-4-pipéridinyl}carbonyl)isoleucine [French] [ACD/IUPAC Name]
N-({1-[(2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinyl)carbonyl]-4-phenyl-4-piperidinyl}carbonyl)isoleucine [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: 788.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.2±3.0 kJ/mol
Flash Point: 430.4±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 157.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 19.77
ACD/KOC (pH 5.5): 76.62
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.51
Polar Surface Area: 116 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 479.9±3.0 cm3

Click to predict properties on the Chemicalize site


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