ChemSpider 2D Image | (3R,4S)-N-{2-Chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-3-pyridinyl}-3-piperidinecarboxamide | C34H39Cl3N4O3

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

  • Molecular FormulaC34H39Cl3N4O3
  • Average mass658.057 Da
  • Monoisotopic mass656.208801 Da
  • ChemSpider ID25058378

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-N-{2-Chlor-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichlor-4-methylphenoxy)ethoxy]-3-pyridinyl}-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3R,4S)-N-{2-Chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-3-pyridinyl}-3-piperidinecarboxamide [ACD/IUPAC Name]
(3R,4S)-N-{2-Chloro-5-[(cyclopropylamino)méthyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-méthylphénoxy)éthoxy]-3-pyridinyl}-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
(3r,4s)-N-{2-Chloro-5-[(Cyclopropylamino)methyl]benzyl}-N-Cyclopropyl-4-{6-[2-(2,6-Dichloro-4-Methylphenoxy)ethoxy]pyridin-3-Yl}piperidine-3-Carboxamide
3-Piperidinecarboxamide, N-[[2-chloro-5-[(cyclopropylamino)methyl]phenyl]methyl]-N-cyclopropyl-4-[6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-3-pyridinyl]-, (3R,4S)- [ACD/Index Name]
LPQ

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

Density: 1.4±0.1 g/cm3
Boiling Point: 796.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 435.3±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 175.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 3.07
ACD/KOC (pH 5.5): 5.37
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 323.23
ACD/KOC (pH 7.4): 565.47
Polar Surface Area: 76 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 484.9±5.0 cm3

Click to predict properties on the Chemicalize site


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