ChemSpider 2D Image | {(2R,4R)-4-[4-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)(~2~H_8_)-1-piperazinyl]-2-pyrrolidinyl}(1,3-thiazolidin-3-yl)methanone | C22H22D8N6OS

{(2R,4R)-4-[4-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)(2H8)-1-piperazinyl]-2-pyrrolidinyl}(1,3-thiazolidin-3-yl)methanone

  • Molecular FormulaC22H22D8N6OS
  • Average mass434.628 Da
  • Monoisotopic mass434.270386 Da
  • ChemSpider ID58783485

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

{(2R,4R)-4-[4-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)(2H8)-1-piperazinyl]-2-pyrrolidinyl}(1,3-thiazolidin-3-yl)methanon [German] [ACD/IUPAC Name]
{(2R,4R)-4-[4-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)(2H8)-1-piperazinyl]-2-pyrrolidinyl}(1,3-thiazolidin-3-yl)methanone [ACD/IUPAC Name]
{(2R,4R)-4-[4-(3-Méthyl-1-phényl-1H-pyrazol-5-yl)(2H8)-1-pipérazinyl]-2-pyrrolidinyl}(1,3-thiazolidin-3-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [(2R,4R)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-piperazinyl-2,2,3,3,5,5,6,6-d8]-2-pyrrolidinyl]-3-thiazolidinyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 663.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 355.0±31.5 °C
Index of Refraction: 1.721
Molar Refractivity: 121.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 28.08
Polar Surface Area: 82 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 307.5±7.0 cm3

Click to predict properties on the Chemicalize site


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