ChemSpider 2D Image | (3S,4R)-N-[2-Chloro-5-(2-methoxyethyl)benzyl]-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-3-pyridinyl}-4-hydroxy-3-piperidinecarboxamide | C33H38Cl3N3O5

(3S,4R)-N-[2-Chloro-5-(2-methoxyethyl)benzyl]-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-3-pyridinyl}-4-hydroxy-3-piperidinecarboxamide

  • Molecular FormulaC33H38Cl3N3O5
  • Average mass663.031 Da
  • Monoisotopic mass661.187683 Da
  • ChemSpider ID25058377
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3S,4R)-N-[2-Chlor-5-(2-methoxyethyl)benzyl]-N-cyclopropyl-4-{6-[2-(2,6-dichlor-4-methylphenoxy)ethoxy]-3-pyridinyl}-4-hydroxy-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3S,4R)-N-[2-Chloro-5-(2-methoxyethyl)benzyl]-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-3-pyridinyl}-4-hydroxy-3-piperidinecarboxamide [ACD/IUPAC Name]
(3S,4R)-N-[2-Chloro-5-(2-méthoxyéthyl)benzyl]-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-méthylphénoxy)éthoxy]-3-pyridinyl}-4-hydroxy-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
(3S,4R)-N-[2-chloro-5-(2-methoxyethyl)benzyl]-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide
3-Piperidinecarboxamide, N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-4-[6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-3-pyridinyl]-4-hydroxy-, (3S,4R)- [ACD/Index Name]
LPO

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

Density: 1.4±0.1 g/cm3
Boiling Point: 796.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.5±3.0 kJ/mol
Flash Point: 435.7±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 172.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 54.52
ACD/KOC (pH 5.5): 118.59
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 2762.61
ACD/KOC (pH 7.4): 6008.52
Polar Surface Area: 93 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 482.5±5.0 cm3

Click to predict properties on the Chemicalize site






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