ChemSpider 2D Image | Methyl (2-{(R)-(3-chlorophenyl)[1-({(2S)-1-(methylamino)-3-[(1R)-tricyclo[3.3.1.0~3,7~]non-3-yl]-2-propanyl}carbamoyl)-3-piperidinyl]methoxy}ethyl)carbamate | C30H45ClN4O4

Methyl (2-{(R)-(3-chlorophenyl)[1-({(2S)-1-(methylamino)-3-[(1R)-tricyclo[3.3.1.03,7]non-3-yl]-2-propanyl}carbamoyl)-3-piperidinyl]methoxy}ethyl)carbamate

  • Molecular FormulaC30H45ClN4O4
  • Average mass561.156 Da
  • Monoisotopic mass560.312927 Da
  • ChemSpider ID17622359

  • defined stereocentres - 3 of 7 defined stereocentres

More details:

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

(2-{(R)-(3-Chlorophényl)[1-({(2S)-1-(méthylamino)-3-[(1R)-tricyclo[3.3.1.03,7]non-3-yl]-2-propanyl}carbamoyl)-3-pipéridinyl]méthoxy}éthyl)carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[2-[(R)-(3-chlorophenyl)[1-[[[(1S)-2-[(2R)-hexahydro-2,5-methanopentalen-3a(1H)-yl]-1-[(methylamino)methyl]ethyl]amino]carbonyl]-3-piperidinyl]methoxy]ethyl]-, methyl ester [ACD/Index Name]
Methyl (2-{(R)-(3-chlorophenyl)[1-({(2S)-1-(methylamino)-3-[(1R)-tricyclo[3.3.1.03,7]non-3-yl]-2-propanyl}carbamoyl)-3-piperidinyl]methoxy}ethyl)carbamate [ACD/IUPAC Name]
Methyl-(2-{(R)-(3-chlorphenyl)[1-({(2S)-1-(methylamino)-3-[(1R)-tricyclo[3.3.1.03,7]non-3-yl]-2-propanyl}carbamoyl)-3-piperidinyl]methoxy}ethyl)carbamat [German] [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: 719.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.7±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 152.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 8.59
ACD/KOC (pH 5.5): 21.73
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 49.95
ACD/KOC (pH 7.4): 126.31
Polar Surface Area: 92 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 464.5±3.0 cm3

Click to predict properties on the Chemicalize site


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