ChemSpider 2D Image | 4-({6-[4-(1,5-Dimethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]-2-ethyl-4-pyrimidinyl}amino)phenyl thiocyanate | C22H26N8S

4-({6-[4-(1,5-Dimethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]-2-ethyl-4-pyrimidinyl}amino)phenyl thiocyanate

  • Molecular FormulaC22H26N8S
  • Average mass434.560 Da
  • Monoisotopic mass434.200104 Da
  • ChemSpider ID121465762

More details:

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

4-({6-[4-(1,5-Dimethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]-2-ethyl-4-pyrimidinyl}amino)phenyl thiocyanate [ACD/IUPAC Name]
4-({6-[4-(1,5-Dimethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]-2-ethyl-4-pyrimidinyl}amino)phenylthiocyanat [German] [ACD/IUPAC Name]
Thiocyanate de 4-({6-[4-(1,5-diméthyl-1H-1,2,4-triazol-3-yl)-1-pipéridinyl]-2-éthyl-4-pyrimidinyl}amino)phényle [French] [ACD/IUPAC Name]
Thiocyanic acid, 4-[[6-[4-(1,5-dimethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]-2-ethyl-4-pyrimidinyl]amino]phenyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 681.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 365.9±34.3 °C
Index of Refraction: 1.700
Molar Refractivity: 126.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 4.41
ACD/KOC (pH 5.5): 26.04
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 163.91
ACD/KOC (pH 7.4): 968.80
Polar Surface Area: 121 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 326.2±7.0 cm3

Click to predict properties on the Chemicalize site


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