Found 329 results

Search term: MF = 'C_{22}H_{27}N_{7}O_{2}S'
ChemSpider 2D Image | 3-{3,5-Dimethyl-4-[3-oxo-3-(4-{[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinyl)propyl]-1H-pyrazol-1-yl}propanenitrile | C22H27N7O2S

3-{3,5-Dimethyl-4-[3-oxo-3-(4-{[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinyl)propyl]-1H-pyrazol-1-yl}propanenitrile

  • Molecular FormulaC22H27N7O2S
  • Average mass453.560 Da
  • Monoisotopic mass453.194702 Da
  • ChemSpider ID30047491

More details:

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

1H-Pyrazole-1-propanenitrile, 3,5-dimethyl-4-[3-oxo-3-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]propyl]- [ACD/Index Name]
3-{3,5-Dimethyl-4-[3-oxo-3-(4-{[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinyl)propyl]-1H-pyrazol-1-yl}propanenitrile [ACD/IUPAC Name]
3-{3,5-Diméthyl-4-[3-oxo-3-(4-{[3-(2-thiényl)-1,2,4-oxadiazol-5-yl]méthyl}-1-pipérazinyl)propyl]-1H-pyrazol-1-yl}propanenitrile [French] [ACD/IUPAC Name]
3-{3,5-Dimethyl-4-[3-oxo-3-(4-{[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinyl)propyl]-1H-pyrazol-1-yl}propannitril [German] [ACD/IUPAC 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: 707.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.4±35.7 °C
Index of Refraction: 1.686
Molar Refractivity: 126.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.26
ACD/KOC (pH 5.5): 435.89
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.49
ACD/KOC (pH 7.4): 438.77
Polar Surface Area: 132 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 332.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement