ChemSpider 2D Image | [4-(4-Nitrophenyl)-1-piperazinyl]{1-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methanone | C21H23N7O3S

[4-(4-Nitrophenyl)-1-piperazinyl]{1-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methanone

  • Molecular FormulaC21H23N7O3S
  • Average mass453.517 Da
  • Monoisotopic mass453.158295 Da
  • ChemSpider ID21471942

More details:

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

[4-(4-Nitrophenyl)-1-piperazinyl]{1-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methanon [German] [ACD/IUPAC Name]
[4-(4-Nitrophenyl)-1-piperazinyl]{1-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methanone [ACD/IUPAC Name]
[4-(4-Nitrophényl)-1-pipérazinyl]{1-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(4-nitrophenyl)-1-piperazinyl][1-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl]- [ACD/Index Name]
1-(4-nitrophenyl)-4-{[1-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2-yl]carbonyl}piperazine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 716.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.4±35.7 °C
Index of Refraction: 1.763
Molar Refractivity: 122.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.37
ACD/KOC (pH 5.5): 455.78
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.37
ACD/KOC (pH 7.4): 455.84
Polar Surface Area: 132 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 72.4±7.0 dyne/cm
Molar Volume: 297.5±7.0 cm3

Click to predict properties on the Chemicalize site


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