ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]carbamoyl}-4-(methoxymethyl)-1-piperidinecarboxylate | C21H29N5O6

2-Methyl-2-propanyl 4-{[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]carbamoyl}-4-(methoxymethyl)-1-piperidinecarboxylate

  • Molecular FormulaC21H29N5O6
  • Average mass447.485 Da
  • Monoisotopic mass447.211792 Da
  • ChemSpider ID65056737

More details:

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

1-Piperidinecarboxylic acid, 4-[[[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]amino]carbonyl]-4-(methoxymethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]carbamoyl}-4-(methoxymethyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]carbamoyl}-4-(methoxymethyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{[4-(3,5-Dioxo-1,2,4-triazolidin-4-yl)phényl]carbamoyl}-4-(méthoxyméthyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.575
Molar Refractivity: 114.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.01
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.18
ACD/KOC (pH 5.5): 33.44
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.53
Polar Surface Area: 129 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 345.2±3.0 cm3

Click to predict properties on the Chemicalize site


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