ChemSpider 2D Image | 1-Methyl 3-({1-[4-(methylsulfonyl)phenyl]-1H-tetrazol-5-yl}methyl) 1,3-piperidinedicarboxylate | C17H21N5O6S

1-Methyl 3-({1-[4-(methylsulfonyl)phenyl]-1H-tetrazol-5-yl}methyl) 1,3-piperidinedicarboxylate

  • Molecular FormulaC17H21N5O6S
  • Average mass423.444 Da
  • Monoisotopic mass423.121246 Da
  • ChemSpider ID30217543

More details:

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

1,3-Pipéridinedicarboxylate de 1-méthyle et de 3-({1-[4-(méthylsulfonyl)phényl]-1H-tétrazol-5-yl}méthyle) [French] [ACD/IUPAC Name]
1,3-Piperidinedicarboxylic acid, 1-methyl 3-[[1-[4-(methylsulfonyl)phenyl]-1H-tetrazol-5-yl]methyl] ester [ACD/Index Name]
1-Methyl 3-({1-[4-(methylsulfonyl)phenyl]-1H-tetrazol-5-yl}methyl) 1,3-piperidinedicarboxylate [ACD/IUPAC Name]
1-Methyl-3-({1-[4-(methylsulfonyl)phenyl]-1H-tetrazol-5-yl}methyl)-1,3-piperidindicarboxylat [German] [ACD/IUPAC 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: 645.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.0±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 104.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.07
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 36.52
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.07
ACD/KOC (pH 7.4): 36.52
Polar Surface Area: 142 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 61.1±7.0 dyne/cm
Molar Volume: 282.4±7.0 cm3

Click to predict properties on the Chemicalize site


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