ChemSpider 2D Image | N-(2-{[5-(5-Chloro-2-thienyl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-D-glucopyranosyloxy)propoxy]phenyl)-1-isopropyl-4-piperidinecarboxamide | C32H42ClN3O10S

N-(2-{[5-(5-Chloro-2-thienyl)-1,2-oxazol-3-yl]methoxy}-6-[3-(β-D-glucopyranosyloxy)propoxy]phenyl)-1-isopropyl-4-piperidinecarboxamide

  • Molecular FormulaC32H42ClN3O10S
  • Average mass696.208 Da
  • Monoisotopic mass695.227966 Da
  • ChemSpider ID35034821

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-Piperidinecarboxamide, N-[2-[[5-(5-chloro-2-thienyl)-3-isoxazolyl]methoxy]-6-[3-(β-D-glucopyranosyloxy)propoxy]phenyl]-1-(1-methylethyl)- [ACD/Index Name]
N-(2-{[5-(5-Chlor-2-thienyl)-1,2-oxazol-3-yl]methoxy}-6-[3-(β-D-glucopyranosyloxy)propoxy]phenyl)-1-isopropyl-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-(2-{[5-(5-Chloro-2-thienyl)-1,2-oxazol-3-yl]methoxy}-6-[3-(β-D-glucopyranosyloxy)propoxy]phenyl)-1-isopropyl-4-piperidinecarboxamide [ACD/IUPAC Name]
N-(2-{[5-(5-Chloro-2-thiényl)-1,2-oxazol-3-yl]méthoxy}-6-[3-(β-D-glucopyranosyloxy)propoxy]phényl)-1-isopropyl-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
N-(2-{[5-(5-Chlorothiophen-2-Yl)-1,2-Oxazol-3-Yl]methoxy}-6-[3-(β-D-Glucopyranosyloxy)propoxy]phenyl)-1-(Propan-2-Yl)piperidine-4-Carboxamide
2FN
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3343301/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 857.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.5±3.0 kJ/mol
Flash Point: 472.1±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 173.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.95
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): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.53
Polar Surface Area: 204 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 74.3±5.0 dyne/cm
Molar Volume: 482.3±5.0 cm3

Click to predict properties on the Chemicalize site


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