ChemSpider 2D Image | N-[(2R)-4-[(5-Chloro-2-pyridinyl)amino]-1,4-dioxo-1-(1-piperidinyl)-2-butanyl]-2'-{[(2-methoxyethyl)(methyl)amino]methyl}-4-biphenylcarboxamide | C32H38ClN5O4

N-[(2R)-4-[(5-Chloro-2-pyridinyl)amino]-1,4-dioxo-1-(1-piperidinyl)-2-butanyl]-2'-{[(2-methoxyethyl)(methyl)amino]methyl}-4-biphenylcarboxamide

  • Molecular FormulaC32H38ClN5O4
  • Average mass592.128 Da
  • Monoisotopic mass591.261230 Da
  • ChemSpider ID23249254

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-piperidinebutanamide, N-(5-chloro-2-pyridinyl)-β-[[[2'-[[(2-methoxyethyl)methylamino]methyl][1,1'-biphenyl]-4-yl]carbonyl]amino]-γ-oxo-, (βR)- [ACD/Index Name]
N-[(2R)-4-[(5-Chlor-2-pyridinyl)amino]-1,4-dioxo-1-(1-piperidinyl)-2-butanyl]-2'-{[(2-methoxyethyl)(methyl)amino]methyl}-4-biphenylcarboxamid [German] [ACD/IUPAC Name]
N-[(2R)-4-[(5-Chloro-2-pyridinyl)amino]-1,4-dioxo-1-(1-piperidinyl)-2-butanyl]-2'-{[(2-methoxyethyl)(methyl)amino]methyl}-4-biphenylcarboxamide [ACD/IUPAC Name]
N-[(2R)-4-[(5-Chloro-2-pyridinyl)amino]-1,4-dioxo-1-(1-pipéridinyl)-2-butanyl]-2'-{[(2-méthoxyéthyl)(méthyl)amino]méthyl}-4-biphénylcarboxamide [French] [ACD/IUPAC Name]
N-[(2R)-4-[(5-chloropyridin-2-yl)amino]-1,4-dioxo-1-(piperidin-1-yl)butan-2-yl]-2'-{[(2-methoxyethyl)(methyl)amino]methyl}biphenyl-4-carboxamide
2''-{[(2-Methoxy-ethyl)-methyl-amino]-methyl}-biphenyl-4-carboxylic acid {(R)-1-[(5-chloro-pyridin-2-ylcarbamoyl)-methyl]-2-oxo-2-piperidin-1-yl-ethyl}-amide
CHEMBL362748
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL362748/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 826.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 453.7±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 164.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 4.69
ACD/KOC (pH 5.5): 25.22
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 225.87
ACD/KOC (pH 7.4): 1214.83
Polar Surface Area: 104 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 474.3±3.0 cm3

Click to predict properties on the Chemicalize site


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