ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[3-({[(1-cyclopropyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)propyl]-1-piperazinecarboxylate | C18H31N7O3S

2-Methyl-2-propanyl 4-[3-({[(1-cyclopropyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)propyl]-1-piperazinecarboxylate

  • Molecular FormulaC18H31N7O3S
  • Average mass425.549 Da
  • Monoisotopic mass425.220917 Da
  • ChemSpider ID33507360

More details:

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

1-Piperazinecarboxylic acid, 4-[3-[[2-[(1-cyclopropyl-1H-tetrazol-5-yl)thio]acetyl]amino]propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[3-({[(1-cyclopropyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)propyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[3-({[(1-cyclopropyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)propyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-[3-({2-[(1-Cyclopropyl-1H-tétrazol-5-yl)sulfanyl]acétyl}amino)propyl]-1-pipérazinecarboxylate 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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 112.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.47
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.82
ACD/KOC (pH 7.4): 51.30
Polar Surface Area: 131 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 306.2±7.0 cm3

Click to predict properties on the Chemicalize site


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