ChemSpider 2D Image | 8,8'-({[3-(3,4-Dihydro-2H-thiochromen-8-yloxy)-2-hydroxypropyl]imino}di-4,1-butanediyl)bis(8-azaspiro[4.5]decane-7,9-dione) | C38H55N3O6S

8,8'-({[3-(3,4-Dihydro-2H-thiochromen-8-yloxy)-2-hydroxypropyl]imino}di-4,1-butanediyl)bis(8-azaspiro[4.5]decane-7,9-dione)

  • Molecular FormulaC38H55N3O6S
  • Average mass681.925 Da
  • Monoisotopic mass681.381165 Da
  • ChemSpider ID2332970

More details:

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

8,8'-({[3-(3,4-Dihydro-2H-thiochromen-8-yloxy)-2-hydroxypropyl]imino}di-4,1-butandiyl)bis(8-azaspiro[4.5]decan-7,9-dion) [German] [ACD/IUPAC Name]
8,8'-({[3-(3,4-Dihydro-2H-thiochromen-8-yloxy)-2-hydroxypropyl]imino}di-4,1-butanediyl)bis(8-azaspiro[4.5]decane-7,9-dione) [ACD/IUPAC Name]
8,8'-({[3-(3,4-Dihydro-2H-thiochromén-8-yloxy)-2-hydroxypropyl]imino}di-4,1-butanediyl)bis(8-azaspiro[4.5]décane-7,9-dione) [French] [ACD/IUPAC Name]
8-Azaspiro[4.5]decane-7,9-dione, 8,8'-[[[3-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]-2-hydroxypropyl]imino]di-4,1-butanediyl]bis- [ACD/Index Name]
153804-34-3 [RN]
8-Azaspiro(4.5)decane-7,9-dione, 8,8'-(((3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-hydroxypropyl)imino)di-4,1-butanediyl)bis-
8-AZASPIRO[4.5]DECANE-7,9-DIONE,8,8'-[[[3-[(3,4-DIHYDRO-2H-1-BENZOTHIOPYRAN-8-YL)OXY]-2-HYDROXYPROPYL]IMINO]DI-4,1-BUTANEDIYL]BIS-(9CI)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 872.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.9±3.0 kJ/mol
Flash Point: 481.6±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 188.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.57
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 75.89
ACD/KOC (pH 5.5): 140.29
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 3643.77
ACD/KOC (pH 7.4): 6736.07
Polar Surface Area: 133 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 538.9±5.0 cm3

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