ChemSpider 2D Image | N-{[3-(2-{[5-(Methoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethoxy)-2-pyridinyl]carbamoyl}-beta-alanine | C15H18N6O6S

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

  • Molecular FormulaC15H18N6O6S
  • Average mass410.405 Da
  • Monoisotopic mass410.100861 Da
  • ChemSpider ID65972112

More details:

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

N-{[3-(2-{[5-(Methoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethoxy)-2-pyridinyl]carbamoyl}-β-alanin [German] [ACD/IUPAC Name]
N-{[3-(2-{[5-(Methoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethoxy)-2-pyridinyl]carbamoyl}-β-alanine [ACD/IUPAC Name]
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-[[[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, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 99.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 193 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 77.7±3.0 dyne/cm
Molar Volume: 268.8±3.0 cm3

Click to predict properties on the Chemicalize site


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