ChemSpider 2D Image | (2R)-[1-(3,3-Dimethylbutanoyl)-4-piperidinyl]({[5-(4-ethoxyphenyl)-2-thienyl]sulfonyl}amino)acetic acid | C25H34N2O6S2

(2R)-[1-(3,3-Dimethylbutanoyl)-4-piperidinyl]({[5-(4-ethoxyphenyl)-2-thienyl]sulfonyl}amino)acetic acid

  • Molecular FormulaC25H34N2O6S2
  • Average mass522.677 Da
  • Monoisotopic mass522.185852 Da
  • ChemSpider ID24704710

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-[1-(3,3-Dimethylbutanoyl)-4-piperidinyl]({[5-(4-ethoxyphenyl)-2-thienyl]sulfonyl}amino)acetic acid [ACD/IUPAC Name]
(2R)-[1-(3,3-Dimethylbutanoyl)-4-piperidinyl]({[5-(4-ethoxyphenyl)-2-thienyl]sulfonyl}amino)essigsäure [German] [ACD/IUPAC Name]
4-Piperidineacetic acid, 1-(3,3-dimethyl-1-oxobutyl)-α-[[[5-(4-ethoxyphenyl)-2-thienyl]sulfonyl]amino]-, (αR)- [ACD/Index Name]
Acide (2R)-[1-(3,3-diméthylbutanoyl)-4-pipéridinyl]({[5-(4-éthoxyphényl)-2-thiényl]sulfonyl}amino)acétique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL492383/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 722.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 390.9±35.7 °C
Index of Refraction: 1.573
Molar Refractivity: 136.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.91
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 415.3±3.0 cm3

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