ChemSpider 2D Image | (1-Butyl-1H-tetrazol-5-yl)methyl 5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoate | C22H32N6O4S

(1-Butyl-1H-tetrazol-5-yl)methyl 5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoate

  • Molecular FormulaC22H32N6O4S
  • Average mass476.592 Da
  • Monoisotopic mass476.220581 Da
  • ChemSpider ID22037819

More details:

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

(1-Butyl-1H-tetrazol-5-yl)methyl 5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoate [ACD/IUPAC Name]
(1-Butyl-1H-tetrazol-5-yl)methyl-5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoat [German] [ACD/IUPAC Name]
5-(1-Pipéridinylsulfonyl)-2-(1-pyrrolidinyl)benzoate de (1-butyl-1H-tétrazol-5-yl)méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)-, (1-butyl-1H-tetrazol-5-yl)methyl ester [ACD/Index 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: 716.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.4±35.7 °C
Index of Refraction: 1.662
Molar Refractivity: 126.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 140.33
ACD/KOC (pH 5.5): 1198.22
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 140.34
ACD/KOC (pH 7.4): 1198.29
Polar Surface Area: 119 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 58.2±7.0 dyne/cm
Molar Volume: 342.0±7.0 cm3

Click to predict properties on the Chemicalize site


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