ChemSpider 2D Image | Methyl 2-{1-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoyl]-3-piperidinyl}-2-methylpropanoate | C22H31NO5S

Methyl 2-{1-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoyl]-3-piperidinyl}-2-methylpropanoate

  • Molecular FormulaC22H31NO5S
  • Average mass421.550 Da
  • Monoisotopic mass421.192291 Da
  • ChemSpider ID30409498

More details:

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

2-{1-[3-(2,3-Dihydro-1H-indén-5-ylsulfonyl)propanoyl]-3-pipéridinyl}-2-méthylpropanoate de méthyle [French] [ACD/IUPAC Name]
3-Piperidineacetic acid, 1-[3-[(2,3-dihydro-1H-inden-5-yl)sulfonyl]-1-oxopropyl]-α,α-dimethyl-, methyl ester [ACD/Index Name]
Methyl 2-{1-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoyl]-3-piperidinyl}-2-methylpropanoate [ACD/IUPAC Name]
Methyl-2-{1-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoyl]-3-piperidinyl}-2-methylpropanoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 606.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 320.4±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 111.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 116.49
ACD/KOC (pH 5.5): 1048.71
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 116.49
ACD/KOC (pH 7.4): 1048.71
Polar Surface Area: 89 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 346.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement