ChemSpider 2D Image | N-Benzyl-N-isopropyl-1-({5-[(E)-2-mesitylvinyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-4-piperidinecarboxamide | C31H39N3O4S

N-Benzyl-N-isopropyl-1-({5-[(E)-2-mesitylvinyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-4-piperidinecarboxamide

  • Molecular FormulaC31H39N3O4S
  • Average mass549.724 Da
  • Monoisotopic mass549.266113 Da
  • ChemSpider ID22994203

  • Double-bond stereo - Double-bond stereo

More details:

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

4-Piperidinecarboxamide, N-(1-methylethyl)-1-[[3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-4-isoxazolyl]sulfonyl]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-N-isopropyl-1-({5-[(E)-2-mesitylvinyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-Benzyl-N-isopropyl-1-({5-[(E)-2-mesitylvinyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-4-piperidinecarboxamide [ACD/IUPAC Name]
N-Benzyl-N-isopropyl-1-({5-[(E)-2-mésitylvinyl]-3-méthyl-1,2-oxazol-4-yl}sulfonyl)-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
N-benzyl-N-isopropyl-1-({5-[(E)-2-mesitylvinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-4-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 719.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.9±35.7 °C
Index of Refraction: 1.592
Molar Refractivity: 155.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14377.56
ACD/KOC (pH 5.5): 32935.08
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 14377.58
ACD/KOC (pH 7.4): 32935.12
Polar Surface Area: 92 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 458.2±3.0 cm3

Click to predict properties on the Chemicalize site


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