ChemSpider 2D Image | 2-Methyl-2-propanyl {(2S)-1-[(2,2-diphenylethyl)amino]-6-[({(3S)-2-[4-(4-morpholinyl)-4-oxobutanoyl]-1,2,3,4-tetrahydro-3-isoquinolinyl}carbonyl)amino]-1-oxo-2-hexanyl}carbamate | C43H55N5O7

2-Methyl-2-propanyl {(2S)-1-[(2,2-diphenylethyl)amino]-6-[({(3S)-2-[4-(4-morpholinyl)-4-oxobutanoyl]-1,2,3,4-tetrahydro-3-isoquinolinyl}carbonyl)amino]-1-oxo-2-hexanyl}carbamate

  • Molecular FormulaC43H55N5O7
  • Average mass753.926 Da
  • Monoisotopic mass753.410156 Da
  • ChemSpider ID58913047
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

{(2S)-1-[(2,2-Diphényléthyl)amino]-6-[({(3S)-2-[4-(4-morpholinyl)-4-oxobutanoyl]-1,2,3,4-tétrahydro-3-isoquinoléinyl}carbonyl)amino]-1-oxo-2-hexanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(2S)-1-[(2,2-diphenylethyl)amino]-6-[({(3S)-2-[4-(4-morpholinyl)-4-oxobutanoyl]-1,2,3,4-tetrahydro-3-isoquinolinyl}carbonyl)amino]-1-oxo-2-hexanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(2S)-1-[(2,2-diphenylethyl)amino]-6-[({(3S)-2-[4-(4-morpholinyl)-4-oxobutanoyl]-1,2,3,4-tetrahydro-3-isochinolinyl}carbonyl)amino]-1-oxo-2-hexanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-[[(2,2-diphenylethyl)amino]carbonyl]-5-[[[(3S)-1,2,3,4-tetrahydro-2-[4-(4-morpholinyl)-1,4-dioxobutyl]-3-isoquinolinyl]carbonyl]amino]pentyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 1017.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.8±3.0 kJ/mol
Flash Point: 569.1±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 208.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1669.74
ACD/KOC (pH 5.5): 7052.92
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1669.37
ACD/KOC (pH 7.4): 7051.35
Polar Surface Area: 146 Å2
Polarizability: 82.5±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 631.2±3.0 cm3

Click to predict properties on the Chemicalize site






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