ChemSpider 2D Image | 2-Methyl-2-propanyl 2-{[({5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]methyl}-1-pyrrolidinecarboxylate | C20H26ClN5O4S

2-Methyl-2-propanyl 2-{[({5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]methyl}-1-pyrrolidinecarboxylate

  • Molecular FormulaC20H26ClN5O4S
  • Average mass467.970 Da
  • Monoisotopic mass467.139404 Da
  • ChemSpider ID81151754

More details:

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

1-Pyrrolidinecarboxylic acid, 2-[[[[[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]amino]carbonyl]amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-{[({5-[(4-Chlorophénoxy)méthyl]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]méthyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-{[({5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]methyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-{[({5-[(4-chlorphenoxy)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]methyl}-1-pyrrolidincarboxylat [German] [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: 1.606
Molar Refractivity: 119.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 273.29
ACD/KOC (pH 5.5): 1929.79
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 239.28
ACD/KOC (pH 7.4): 1689.63
Polar Surface Area: 134 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 346.9±3.0 cm3

Click to predict properties on the Chemicalize site


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