ChemSpider 2D Image | 4-Amino-5-chloro-N-[(3R,4S)-1-{[(1S,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl}-3-methoxy-4-piperidinyl]-2-methoxybenzamide | C28H38ClN3O5

4-Amino-5-chloro-N-[(3R,4S)-1-{[(1S,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl}-3-methoxy-4-piperidinyl]-2-methoxybenzamide

  • Molecular FormulaC28H38ClN3O5
  • Average mass532.071 Da
  • Monoisotopic mass531.250000 Da
  • ChemSpider ID24633810

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-Amino-5-chlor-N-[(3R,4S)-1-{[(1S,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl}-3-methoxy-4-piperidinyl]-2-methoxybenzamid [German] [ACD/IUPAC Name]
4-Amino-5-chloro-N-[(3R,4S)-1-{[(1S,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl}-3-methoxy-4-piperidinyl]-2-methoxybenzamide [ACD/IUPAC Name]
4-Amino-5-chloro-N-[(3R,4S)-1-{[(1S,2S)-2-hydroxy-2-(3-méthoxyphényl)cyclohexyl]méthyl}-3-méthoxy-4-pipéridinyl]-2-méthoxybenzamide [French] [ACD/IUPAC Name]
Benzamide, 4-amino-5-chloro-N-[(3R,4S)-1-[[(1S,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl]-3-methoxy-4-piperidinyl]-2-methoxy- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 676.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 362.6±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 144.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.16
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 10.51
ACD/KOC (pH 7.4): 89.28
Polar Surface Area: 106 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 414.1±5.0 cm3

Click to predict properties on the Chemicalize site


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