ChemSpider 2D Image | (1-Butyl-1H-tetrazol-5-yl)methyl 5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)benzoate | C22H32N6O5S

(1-Butyl-1H-tetrazol-5-yl)methyl 5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)benzoate

  • Molecular FormulaC22H32N6O5S
  • Average mass492.592 Da
  • Monoisotopic mass492.215485 Da
  • ChemSpider ID22037451

More details:

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

(1-Butyl-1H-tetrazol-5-yl)methyl 5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)benzoate [ACD/IUPAC Name]
(1-Butyl-1H-tetrazol-5-yl)methyl-5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)benzoat [German] [ACD/IUPAC Name]
5-(4-Morpholinylsulfonyl)-2-(1-pipéridinyl)benzoate de (1-butyl-1H-tétrazol-5-yl)méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)-, (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: 740.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 401.4±35.7 °C
Index of Refraction: 1.656
Molar Refractivity: 128.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.78
ACD/KOC (pH 5.5): 578.79
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.79
ACD/KOC (pH 7.4): 578.92
Polar Surface Area: 128 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 348.5±7.0 cm3

Click to predict properties on the Chemicalize site


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