ChemSpider 2D Image | N-(3-{[(2,2-Difluoro-1,3-benzodioxol-5-yl)carbamothioyl]amino}propyl)acetamide | C13H15F2N3O3S

N-(3-{[(2,2-Difluoro-1,3-benzodioxol-5-yl)carbamothioyl]amino}propyl)acetamide

  • Molecular FormulaC13H15F2N3O3S
  • Average mass331.338 Da
  • Monoisotopic mass331.080231 Da
  • ChemSpider ID30075263

More details:

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

Acetamide, N-[3-[[[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]thioxomethyl]amino]propyl]- [ACD/Index Name]
N-(3-{[(2,2-Difluor-1,3-benzodioxol-5-yl)carbamothioyl]amino}propyl)acetamid [German] [ACD/IUPAC Name]
N-(3-{[(2,2-Difluoro-1,3-benzodioxol-5-yl)carbamothioyl]amino}propyl)acetamide [ACD/IUPAC Name]
N-(3-{[(2,2-Difluoro-1,3-benzodioxol-5-yl)carbamothioyl]amino}propyl)acétamide [French] [ACD/IUPAC 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: 1.592
Molar Refractivity: 79.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.17
ACD/KOC (pH 5.5): 127.99
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.17
ACD/KOC (pH 7.4): 127.97
Polar Surface Area: 104 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 233.5±5.0 cm3

Click to predict properties on the Chemicalize site


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