ChemSpider 2D Image | Allyl 2-{[({4-[2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl]-1,2,5-oxadiazol-3-yl}oxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate | C20H24N6O7S

Allyl 2-{[({4-[2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl]-1,2,5-oxadiazol-3-yl}oxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate

  • Molecular FormulaC20H24N6O7S
  • Average mass492.506 Da
  • Monoisotopic mass492.142731 Da
  • ChemSpider ID125094733

More details:

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

2-{[2-({4-[2-(4-Carbamoyl-1-pipéridinyl)-2-oxoéthyl]-1,2,5-oxadiazol-3-yl}oxy)acétyl]amino}-4-méthyl-1,3-thiazole-5-carboxylate d'allyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-[[2-[[4-[2-[4-(aminocarbonyl)-1-piperidinyl]-2-oxoethyl]-1,2,5-oxadiazol-3-yl]oxy]acetyl]amino]-4-methyl-, 2-propen-1-yl ester [ACD/Index Name]
Allyl 2-{[({4-[2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl]-1,2,5-oxadiazol-3-yl}oxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Allyl-2-{[({4-[2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl]-1,2,5-oxadiazol-3-yl}oxy)acetyl]amino}-4-methyl-1,3-thiazol-5-carboxylat [German] [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: 1.612
Molar Refractivity: 119.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: -0.09
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.34
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.59
Polar Surface Area: 208 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 72.7±3.0 dyne/cm
Molar Volume: 343.6±3.0 cm3

Click to predict properties on the Chemicalize site


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