ChemSpider 2D Image | 4R-HYDROXY SOLIFENACIN N1-OXIDE | C23H26N2O4

4R-HYDROXY SOLIFENACIN N1-OXIDE

  • Molecular FormulaC23H26N2O4
  • Average mass394.464 Da
  • Monoisotopic mass394.189270 Da
  • ChemSpider ID52084132

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(1S,4R)-4-Hydroxy-1-phényl-3,4-dihydro-2(1H)-isoquinoléinecarboxylate de (3R)-1-oxydo-1-azabicyclo[2.2.2]oct-3-yle [French] [ACD/IUPAC Name]
(3R)-1-Oxido-1-azabicyclo[2.2.2]oct-3-yl (1S,4R)-4-hydroxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate [ACD/IUPAC Name]
(3R)-1-Oxido-1-azabicyclo[2.2.2]oct-3-yl-(1S,4R)-4-hydroxy-1-phenyl-3,4-dihydro-2(1H)-isochinolincarboxylat [German] [ACD/IUPAC Name]
2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-4-hydroxy-1-phenyl-, (3R)-1-oxido-1-azabicyclo[2.2.2]oct-3-yl ester, (1S,4R)- [ACD/Index Name]
4R-HYDROXY SOLIFENACIN N1-OXIDE
861998-78-9 [RN]

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

JZ88528ZLX [DBID]
UNII:JZ88528ZLX [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.79
ACD/KOC (pH 5.5): 88.13
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.12
ACD/KOC (pH 7.4): 95.91
Polar Surface Area: 67 Å2
Polarizability:
Surface Tension:
Molar Volume:

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