ChemSpider 2D Image | [1-({5-[(E)-2-Mesitylvinyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-4-piperidinyl][3-methyl-4-(3-methylphenyl)-1-piperazinyl]methanone | C33H42N4O4S

[1-({5-[(E)-2-Mesitylvinyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-4-piperidinyl][3-methyl-4-(3-methylphenyl)-1-piperazinyl]methanone

  • Molecular FormulaC33H42N4O4S
  • Average mass590.776 Da
  • Monoisotopic mass590.292664 Da
  • ChemSpider ID22994190

  • Double-bond stereo - Double-bond stereo

More details:

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

[1-({5-[(E)-2-Mesitylvinyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-4-piperidinyl][3-methyl-4-(3-methylphenyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
[1-({5-[(E)-2-Mesitylvinyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-4-piperidinyl][3-methyl-4-(3-methylphenyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
[1-({5-[(E)-2-Mésitylvinyl]-3-méthyl-1,2-oxazol-4-yl}sulfonyl)-4-pipéridinyl][3-méthyl-4-(3-méthylphényl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [3-methyl-4-(3-methylphenyl)-1-piperazinyl][1-[[3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-4-isoxazolyl]sulfonyl]-4-piperidinyl]- [ACD/Index Name]
4-{[1-({5-[(E)-2-mesitylvinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidin-4-yl]carbonyl}-2-methyl-1-(3-methylphenyl)piperazine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 778.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 424.8±35.7 °C
Index of Refraction: 1.600
Molar Refractivity: 166.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9418.60
ACD/KOC (pH 5.5): 24267.05
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9505.81
ACD/KOC (pH 7.4): 24491.73
Polar Surface Area: 95 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 485.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement