ChemSpider 2D Image | N-[5-({2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide | C18H18N6O5S2

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

  • Molecular FormulaC18H18N6O5S2
  • Average mass462.503 Da
  • Monoisotopic mass462.078003 Da
  • ChemSpider ID22530666

More details:

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

1H-Pyrazole-4-carboxamide, N-[5-[[2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methoxy-1-methyl- [ACD/Index Name]
N-[5-({2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-1-methyl-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
N-[5-({2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
N-[5-({2-[(1,3-Benzodioxol-5-ylméthyl)amino]-2-oxoéthyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-méthoxy-1-méthyl-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
1172464-93-5 [RN]
N-(5-((2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
N-{5-[({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methoxy-1-methyl-1H-pyrazole-4-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: 1.751
Molar Refractivity: 115.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.91
ACD/KOC (pH 5.5): 152.44
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 3.94
ACD/KOC (pH 7.4): 75.99
Polar Surface Area: 183 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 68.4±7.0 dyne/cm
Molar Volume: 283.7±7.0 cm3

Click to predict properties on the Chemicalize site


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