ChemSpider 2D Image | Methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-1-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]-2-propanyl}carbamoyl)-3-piperidinyl]methoxy}ethyl)carbamate | C26H41ClN4O5

Methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-1-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]-2-propanyl}carbamoyl)-3-piperidinyl]methoxy}ethyl)carbamate

  • Molecular FormulaC26H41ClN4O5
  • Average mass525.081 Da
  • Monoisotopic mass524.276550 Da
  • ChemSpider ID26328829

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2-{(R)-(3-Chlorophényl)[(3R)-1-({(2S)-1-(méthylamino)-3-[(3R)-tétrahydro-2H-pyran-3-yl]-2-propanyl}carbamoyl)-3-pipéridinyl]méthoxy}éthyl)carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[2-[(R)-(3-chlorophenyl)[(3R)-1-[[[(1S)-2-(methylamino)-1-[[(3R)-tetrahydro-2H-pyran-3-yl]methyl]ethyl]amino]carbonyl]-3-piperidinyl]methoxy]ethyl]-, methyl ester [ACD/Index Name]
Methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-1-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]-2-propanyl}carbamoyl)-3-piperidinyl]methoxy}ethyl)carbamate [ACD/IUPAC Name]
Methyl (2-{(R)-(3-Chlorophenyl)[(3r)-1-({(2s)-1-(Methylamino)-3-[(3r)-Tetrahydro-2h-Pyran-3-Yl]propan-2-Yl}carbamoyl)piperidin-3-Yl]methoxy}ethyl)carbamate
Methyl-(2-{(R)-(3-chlorphenyl)[(3R)-1-({(2S)-1-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]-2-propanyl}carbamoyl)-3-piperidinyl]methoxy}ethyl)carbamat [German] [ACD/IUPAC Name]
942140-23-0 [RN]
RX6

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

Density: 1.2±0.1 g/cm3
Boiling Point: 702.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 378.9±31.5 °C
Index of Refraction: 1.538
Molar Refractivity: 139.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.88
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 1.92
ACD/KOC (pH 7.4): 12.89
Polar Surface Area: 101 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 445.5±3.0 cm3

Click to predict properties on the Chemicalize site


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