ChemSpider 2D Image | (2R)-({[5-(4-Ethoxyphenyl)-2-thienyl]sulfonyl}amino)[1-(propoxycarbonyl)-4-piperidinyl]acetic acid | C23H30N2O7S2

(2R)-({[5-(4-Ethoxyphenyl)-2-thienyl]sulfonyl}amino)[1-(propoxycarbonyl)-4-piperidinyl]acetic acid

  • Molecular FormulaC23H30N2O7S2
  • Average mass510.624 Da
  • Monoisotopic mass510.149445 Da
  • ChemSpider ID24714455

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-({[5-(4-Ethoxyphenyl)-2-thienyl]sulfonyl}amino)[1-(propoxycarbonyl)-4-piperidinyl]acetic acid [ACD/IUPAC Name]
(2R)-({[5-(4-Ethoxyphenyl)-2-thienyl]sulfonyl}amino)[1-(propoxycarbonyl)-4-piperidinyl]essigsäure [German] [ACD/IUPAC Name]
4-Piperidineacetic acid, α-[[[5-(4-ethoxyphenyl)-2-thienyl]sulfonyl]amino]-1-(propoxycarbonyl)-, (αR)- [ACD/Index Name]
Acide (2R)-({[5-(4-éthoxyphényl)-2-thiényl]sulfonyl}amino)[1-(propoxycarbonyl)-4-pipéridinyl]acétique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL512275/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 696.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 374.8±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 129.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.13
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 388.6±3.0 cm3

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