ChemSpider 2D Image | 7-(4-Chlorophenyl)-5-(4-isopropylphenyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine | C20H19ClN4

7-(4-Chlorophenyl)-5-(4-isopropylphenyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine

  • Molecular FormulaC20H19ClN4
  • Average mass350.845 Da
  • Monoisotopic mass350.129822 Da
  • ChemSpider ID26012447

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine, 7-(4-chlorophenyl)-4,7-dihydro-5-[4-(1-methylethyl)phenyl]- [ACD/Index Name]
7-(4-Chlorophenyl)-5-(4-isopropylphenyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine [ACD/IUPAC Name]
7-(4-Chlorophényl)-5-(4-isopropylphényl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine [French] [ACD/IUPAC Name]
7-(4-Chlorphenyl)-5-(4-isopropylphenyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin [German] [ACD/IUPAC Name]
7-(4-chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 534.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.9±32.9 °C
Index of Refraction: 1.669
Molar Refractivity: 101.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 5996.21
ACD/KOC (pH 5.5): 17600.61
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6009.09
ACD/KOC (pH 7.4): 17638.43
Polar Surface Area: 43 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 272.9±7.0 cm3

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