ChemSpider 2D Image | (5'Z)-16'-Chloro-13'-(3-chlorobenzyl)-3'-(2-methoxyphenyl)-2,3,5,6-tetrahydro-9'H,14'H-spiro[pyran-4,8'-[2]thia[3,10,13]triazabicyclo[13.3.1]nonadeca[1(19),5,15,17]tetraene]-9',14'-dione 2',2'-dioxide | C33H35Cl2N3O6S

(5'Z)-16'-Chloro-13'-(3-chlorobenzyl)-3'-(2-methoxyphenyl)-2,3,5,6-tetrahydro-9'H,14'H-spiro[pyran-4,8'-[2]thia[3,10,13]triazabicyclo[13.3.1]nonadeca[1(19),5,15,17]tetraene]-9',14'-dione 2',2'-dioxide

  • Molecular FormulaC33H35Cl2N3O6S
  • Average mass672.619 Da
  • Monoisotopic mass671.162354 Da
  • ChemSpider ID107393916

  • Double-bond stereo - Double-bond stereo

More details:

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

(5'Z)-16'-Chloro-13'-(3-chlorobenzyl)-3'-(2-methoxyphenyl)-2,3,5,6-tetrahydro-9'H,14'H-spiro[pyran-4,8'-[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[4H-pyran-4,8'-[2]thia[3,10,13]triazabicyclo[13.3.1]nonadeca[1(19),5,15,17]tetraene]-9',14'-dione, 16'-chloro-13'-[(3-chlorophenyl)methyl]-2,3,5,6-tetrahydro-3'-(2-methoxyphenyl)-, 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: 1.660
Molar Refractivity: 175.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3459.61
ACD/KOC (pH 5.5): 11880.37
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3459.62
ACD/KOC (pH 7.4): 11880.39
Polar Surface Area: 114 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 474.0±5.0 cm3

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