ChemSpider 2D Image | (4-{2-Methoxy-5-[(3-methyl-1-piperidinyl)sulfonyl]phenyl}-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone | C27H37N3O7S

(4-{2-Methoxy-5-[(3-methyl-1-piperidinyl)sulfonyl]phenyl}-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone

  • Molecular FormulaC27H37N3O7S
  • Average mass547.664 Da
  • Monoisotopic mass547.235229 Da
  • ChemSpider ID22733783

More details:

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

(4-{2-Methoxy-5-[(3-methyl-1-piperidinyl)sulfonyl]phenyl}-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanon [German] [ACD/IUPAC Name]
(4-{2-Methoxy-5-[(3-methyl-1-piperidinyl)sulfonyl]phenyl}-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone [ACD/IUPAC Name]
(4-{2-Méthoxy-5-[(3-méthyl-1-pipéridinyl)sulfonyl]phényl}-1-pipérazinyl)(3,4,5-triméthoxyphényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[2-methoxy-5-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-1-piperazinyl](3,4,5-trimethoxyphenyl)- [ACD/Index 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: 731.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.3±35.7 °C
Index of Refraction: 1.568
Molar Refractivity: 144.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 196.15
ACD/KOC (pH 5.5): 1522.81
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 196.15
ACD/KOC (pH 7.4): 1522.82
Polar Surface Area: 106 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 441.1±3.0 cm3

Click to predict properties on the Chemicalize site


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