ChemSpider 2D Image | N-[5-({2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2-thiophenecarboxamide | C18H16N4O4S3

N-[5-({2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2-thiophenecarboxamide

  • Molecular FormulaC18H16N4O4S3
  • Average mass448.539 Da
  • Monoisotopic mass448.033356 Da
  • ChemSpider ID26564434

More details:

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

2-Thiophenecarboxamide, N-[5-[[2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-4-methyl- [ACD/Index Name]
N-[5-({2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-[5-({2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2-thiophenecarboxamide [ACD/IUPAC Name]
N-[5-({2-[(1,3-Benzodioxol-5-ylméthyl)amino]-2-oxoéthyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-méthyl-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
1219844-86-6 [RN]
N-(5-((2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4-methylthiophene-2-carboxamide
N-{5-[({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-methylthiophene-2-carboxamide

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.711
Molar Refractivity: 112.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.04
ACD/KOC (pH 5.5): 728.08
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 58.35
ACD/KOC (pH 7.4): 606.63
Polar Surface Area: 184 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 85.2±5.0 dyne/cm
Molar Volume: 288.3±5.0 cm3

Click to predict properties on the Chemicalize site


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