ChemSpider 2D Image | (5'Z)-18'-Chloro-13'-(3-chlorobenzyl)-3'-phenyl-9'H,14'H-spiro[piperidine-3,8'-[2]thia[3,10,13]triazabicyclo[13.3.1]nonadeca[1(19),5,15,17]tetraene]-9',14'-dione 2',2'-dioxide | C32H34Cl2N4O4S

(5'Z)-18'-Chloro-13'-(3-chlorobenzyl)-3'-phenyl-9'H,14'H-spiro[piperidine-3,8'-[2]thia[3,10,13]triazabicyclo[13.3.1]nonadeca[1(19),5,15,17]tetraene]-9',14'-dione 2',2'-dioxide

  • Molecular FormulaC32H34Cl2N4O4S
  • Average mass641.608 Da
  • Monoisotopic mass640.167786 Da
  • ChemSpider ID104736825

  • Double-bond stereo - Double-bond stereo

More details:

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

(5'Z)-18'-Chloro-13'-(3-chlorobenzyl)-3'-phenyl-9'H,14'H-spiro[piperidine-3,8'-[2]thia[3,10,13]triazabicyclo[13.3.1]nonadeca[1(19),5,15,17]tetraene]-9',14'-dione 2',2'-dioxide [ACD/IUPAC Name]
Spiro[piperidine-3,8'-[2]thia[3,10,13]triazabicyclo[13.3.1]nonadeca[1(19),5,15,17]tetraene]-9',14'-dione, 18'-chloro-13'-[(3-chlorophenyl)methyl]-3'-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: 1.675
Molar Refractivity: 170.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.69
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 2.10
ACD/KOC (pH 7.4): 12.07
Polar Surface Area: 107 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 69.1±5.0 dyne/cm
Molar Volume: 454.0±5.0 cm3

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