ChemSpider 2D Image | 2-Benzyl-N-(6-{[(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)carbamothioyl]amino}hexyl)-3-sulfanylpropanamide | C37H37N3O6S2

2-Benzyl-N-(6-{[(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)carbamothioyl]amino}hexyl)-3-sulfanylpropanamide

  • Molecular FormulaC37H37N3O6S2
  • Average mass683.836 Da
  • Monoisotopic mass683.212402 Da
  • ChemSpider ID2300213

More details:

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

2-Benzyl-N-(6-{[(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)carbamothioyl]amino}hexyl)-3-sulfanylpropanamid [German] [ACD/IUPAC Name]
2-Benzyl-N-(6-{[(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)carbamothioyl]amino}hexyl)-3-sulfanylpropanamide [ACD/IUPAC Name]
2-Benzyl-N-(6-{[(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)carbamothioyl]amino}hexyl)-3-sulfanylpropanamide [French] [ACD/IUPAC Name]
Benzenepropanamide, N-[6-[[[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)amino]thioxomethyl]amino]hexyl]-α-(mercaptomethyl)- [ACD/Index Name]
145724-06-7 [RN]
1-FTI
2-Benzyl-N-[6-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]hexyl]-3-sulfanylpropanamide
2-BENZYL-N-{6-[({3',6'-DIHYDROXY-3-OXOSPIRO[2-BENZOFURAN-1,9'-XANTHENE]-5-YL}CARBAMOTHIOYL)AMINO]HEXYL}-3-SULFANYLPROPANAMIDE
Benzenepropanamide, N-(6-((((3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5-yl)amino)thioxomethyl)amino)hexyl)-α-(mercaptomethyl)-
N-(Fluoresceinyl)-N'-(1-(6-(3-mercapto-2-benzyl-1-oxopropyl)amino)-1-hexyl)thiocarbamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.719
Molar Refractivity: 189.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 20263.64
ACD/KOC (pH 5.5): 42075.30
ACD/LogD (pH 7.4): 5.96
ACD/BCF (pH 7.4): 19947.51
ACD/KOC (pH 7.4): 41418.89
Polar Surface Area: 200 Å2
Polarizability: 75.2±0.5 10-24cm3
Surface Tension: 80.5±5.0 dyne/cm
Molar Volume: 480.8±5.0 cm3

Click to predict properties on the Chemicalize site


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