ChemSpider 2D Image | (2E)-5-Amino-N-[(2R)-3-(4-biphenylyl)-1-{[(2R)-1-(4-hydroxy-1-piperidinyl)-1-oxo-3-(2-thienyl)-2-propanyl](methyl)amino}-1-oxo-2-propanyl]-N,3,5-trimethyl-2-hexenamide | C37H48N4O4S

(2E)-5-Amino-N-[(2R)-3-(4-biphenylyl)-1-{[(2R)-1-(4-hydroxy-1-piperidinyl)-1-oxo-3-(2-thienyl)-2-propanyl](methyl)amino}-1-oxo-2-propanyl]-N,3,5-trimethyl-2-hexenamide

  • Molecular FormulaC37H48N4O4S
  • Average mass644.866 Da
  • Monoisotopic mass644.339600 Da
  • ChemSpider ID9127602

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E)-5-Amino-N-[(2R)-3-(4-biphenylyl)-1-{[(2R)-1-(4-hydroxy-1-piperidinyl)-1-oxo-3-(2-thienyl)-2-propanyl](methyl)amino}-1-oxo-2-propanyl]-N,3,5-trimethyl-2-hexenamid [German] [ACD/IUPAC Name]
(2E)-5-Amino-N-[(2R)-3-(4-biphenylyl)-1-{[(2R)-1-(4-hydroxy-1-piperidinyl)-1-oxo-3-(2-thienyl)-2-propanyl](methyl)amino}-1-oxo-2-propanyl]-N,3,5-trimethyl-2-hexenamide [ACD/IUPAC Name]
(2E)-5-Amino-N-[(2R)-3-(4-biphénylyl)-1-{[(2R)-1-(4-hydroxy-1-pipéridinyl)-1-oxo-3-(2-thiényl)-2-propanyl](méthyl)amino}-1-oxo-2-propanyl]-N,3,5-triméthyl-2-hexénamide [French] [ACD/IUPAC Name]
[1,1'-Biphenyl]-4-propanamide, α-[[(2E)-5-amino-3,5-dimethyl-1-oxo-2-hexen-1-yl]methylamino]-N-[(1R)-2-(4-hydroxy-1-piperidinyl)-2-oxo-1-(2-thienylmethyl)ethyl]-N-methyl-, (αR)- [ACD/Index 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: 867.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.1±3.0 kJ/mol
Flash Point: 478.5±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 185.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.45
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 2.20
ACD/KOC (pH 7.4): 13.19
Polar Surface Area: 135 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 539.7±3.0 cm3

Click to predict properties on the Chemicalize site


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