ChemSpider 2D Image | 4-{[1-(2-{[({5-[(3-Carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)-4-piperidinyl]methoxy}-4-oxobutanoic acid | C29H37N3O11S

4-{[1-(2-{[({5-[(3-Carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)-4-piperidinyl]methoxy}-4-oxobutanoic acid

  • Molecular FormulaC29H37N3O11S
  • Average mass635.683 Da
  • Monoisotopic mass635.214905 Da
  • ChemSpider ID28495347

More details:

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

4-{[1-(2-{[({5-[(3-Carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)-4-piperidinyl]methoxy}-4-oxobutanoic acid [ACD/IUPAC Name]
4-{[1-(2-{[({5-[(3-Carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)-4-piperidinyl]methoxy}-4-oxobutansäure [German] [ACD/IUPAC Name]
4-{[1-(2-{[({5-[(3-carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)piperidin-4-yl]methoxy}-4-oxobutanoic acid
Acide 4-{[1-(2-{[({5-[(3-carboxypropanoyl)amino]-2,4-diméthoxyphényl}sulfonyl)amino]méthyl}phényl)-4-pipéridinyl]méthoxy}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[[1-[2-[[[[5-[(3-carboxy-1-oxopropyl)amino]-2,4-dimethoxyphenyl]sulfonyl]amino]methyl]phenyl]-4-piperidinyl]methyl] ester [ACD/Index Name]
4-{[1-(2-{[({5-[(3-Carboxypropanoyl)amino]-2,4-Dimethoxyphenyl}sulfonyl)amino]methyl} Phenyl)piperidin-4-Yl]methoxy}-4-Oxobutanoic Acid
R84

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.587
Molar Refractivity: 156.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 1.54
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 466.9±3.0 cm3

Click to predict properties on the Chemicalize site


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