ChemSpider 2D Image | (11'Z)-4'-Cyclopropyl-4'-methyl-14'-[3-(trifluoromethyl)phenyl]-2'H,7'H-spiro[piperidine-4,8'-[15]thia[3,6,14]triazabicyclo[14.3.1]icosa[1(20),11,16,18]tetraene]-2',7'-dione 15',15'-dioxide | C31H37F3N4O4S

(11'Z)-4'-Cyclopropyl-4'-methyl-14'-[3-(trifluoromethyl)phenyl]-2'H,7'H-spiro[piperidine-4,8'-[15]thia[3,6,14]triazabicyclo[14.3.1]icosa[1(20),11,16,18]tetraene]-2',7'-dione 15',15'-dioxide

  • Molecular FormulaC31H37F3N4O4S
  • Average mass618.710 Da
  • Monoisotopic mass618.248779 Da
  • ChemSpider ID107350174

  • Double-bond stereo - Double-bond stereo

More details:

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

(11'Z)-4'-Cyclopropyl-4'-methyl-14'-[3-(trifluoromethyl)phenyl]-2'H,7'H-spiro[piperidine-4,8'-[15]thia[3,6,14]triazabicyclo[14.3.1]icosa[1(20),11,16,18]tetraene]-2',7'-dione 15',15'-dioxide [ACD/IUPAC Name]
Spiro[piperidine-4,9'-[2]thia[3,11,14]triazabicyclo[14.3.1]eicosa[1(20),5,16,18]tetraene]-10',15'-dione, 13'-cyclopropyl-13'-methyl-3'-[3-(trifluoromethyl)phenyl]-, 2',2'-dioxide, (5'Z)- [ACD/Index Name]

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: 1.613
Molar Refractivity: 157.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.06
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.57
Polar Surface Area: 116 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 452.5±5.0 cm3

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