ChemSpider 2D Image | N-Ethyl-N-{[3-(2-{[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethoxy)-2-pyridinyl]carbamoyl}-beta-alanine | C17H22N6O6S

N-Ethyl-N-{[3-(2-{[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethoxy)-2-pyridinyl]carbamoyl}-β-alanine

  • Molecular FormulaC17H22N6O6S
  • Average mass438.458 Da
  • Monoisotopic mass438.132141 Da
  • ChemSpider ID65981814

More details:

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

N-Ethyl-N-{[3-(2-{[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethoxy)-2-pyridinyl]carbamoyl}-β-alanin [German] [ACD/IUPAC Name]
N-Ethyl-N-{[3-(2-{[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethoxy)-2-pyridinyl]carbamoyl}-β-alanine [ACD/IUPAC Name]
N-Éthyl-N-{[3-(2-{[5-(méthoxyméthyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoéthoxy)-2-pyridinyl]carbamoyl}-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-ethyl-N-[[[3-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]-2-pyridinyl]amino]carbonyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 108.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: -0.59
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 72.2±3.0 dyne/cm
Molar Volume: 300.2±3.0 cm3

Click to predict properties on the Chemicalize site


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