ChemSpider 2D Image | Butyl ({4'-[(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-5-(3-methoxybenzyl)-2-biphenylyl}sulfonyl)carbamate | C36H40N4O5S

Butyl ({4'-[(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-5-(3-methoxybenzyl)-2-biphenylyl}sulfonyl)carbamate

  • Molecular FormulaC36H40N4O5S
  • Average mass640.792 Da
  • Monoisotopic mass640.271912 Da
  • ChemSpider ID8028096

More details:

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

({4'-[(2-Éthyl-5,7-diméthyl-3H-imidazo[4,5-b]pyridin-3-yl)méthyl]-5-(3-méthoxybenzyl)-2-biphénylyl}sulfonyl)carbamate de butyle [French] [ACD/IUPAC Name]
Butyl ({4'-[(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-5-(3-methoxybenzyl)-2-biphenylyl}sulfonyl)carbamate [ACD/IUPAC Name]
butyl ({4'-[(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-5-(3-methoxybenzyl)biphenyl-2-yl}sulfonyl)carbamate
Butyl-({4'-[(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-5-(3-methoxybenzyl)-2-biphenylyl}sulfonyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[[4'-[(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-5-[(3-methoxyphenyl)methyl][1,1'-biphenyl]-2-yl]sulfonyl]-, butyl ester [ACD/Index Name]
Butyl N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-[(3-methoxyphenyl)methyl]phenyl]sulfonylcarbamate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL290214/
L-163,491
L-163491
N-Butyloxycarbonyl-4'-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-5-(3-methoxy-benzyl)-biphenyl-2-sulfonic acid amide

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 181.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 1761.05
ACD/KOC (pH 5.5): 2246.22
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 1197.96
ACD/KOC (pH 7.4): 1528.00
Polar Surface Area: 121 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 519.4±7.0 cm3

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