Found 48 results

Search term: MF = 'C_{31}H_{35}N_{3}OS'
ChemSpider 2D Image | (4-Benzyl-1-piperidinyl){1-[4-(2-methyl-2-propanyl)benzyl]-5-(2-thienyl)-1H-pyrazol-3-yl}methanone | C31H35N3OS

(4-Benzyl-1-piperidinyl){1-[4-(2-methyl-2-propanyl)benzyl]-5-(2-thienyl)-1H-pyrazol-3-yl}methanone

  • Molecular FormulaC31H35N3OS
  • Average mass497.694 Da
  • Monoisotopic mass497.250092 Da
  • ChemSpider ID67579329

More details:

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

(4-Benzyl-1-piperidinyl){1-[4-(2-methyl-2-propanyl)benzyl]-5-(2-thienyl)-1H-pyrazol-3-yl}methanon [German] [ACD/IUPAC Name]
(4-Benzyl-1-piperidinyl){1-[4-(2-methyl-2-propanyl)benzyl]-5-(2-thienyl)-1H-pyrazol-3-yl}methanone [ACD/IUPAC Name]
(4-Benzyl-1-pipéridinyl){1-[4-(2-méthyl-2-propanyl)benzyl]-5-(2-thiényl)-1H-pyrazol-3-yl}méthanone [French] [ACD/IUPAC Name]
Methanone, [1-[[4-(1,1-dimethylethyl)phenyl]methyl]-5-(2-thienyl)-1H-pyrazol-3-yl][4-(phenylmethyl)-1-piperidinyl]- [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: 671.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.0±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 152.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 44191.57
ACD/KOC (pH 5.5): 73572.48
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 44192.01
ACD/KOC (pH 7.4): 73573.21
Polar Surface Area: 66 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 429.3±7.0 cm3

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