ChemSpider 2D Image | 3-(3-Chloro-1H-1,2,4-triazol-5-yl)-1-[4-(4-quinazolinyl)-1-piperazinyl]-1-propanone | C17H18ClN7O

3-(3-Chloro-1H-1,2,4-triazol-5-yl)-1-[4-(4-quinazolinyl)-1-piperazinyl]-1-propanone

  • Molecular FormulaC17H18ClN7O
  • Average mass371.824 Da
  • Monoisotopic mass371.126129 Da
  • ChemSpider ID29720216

More details:

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

1-[4-(4-Chinazolinyl)-1-piperazinyl]-3-(3-chlor-1H-1,2,4-triazol-5-yl)-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-(4-quinazolinyl)-1-piperazinyl]- [ACD/Index Name]
3-(3-Chloro-1H-1,2,4-triazol-5-yl)-1-[4-(4-quinazolinyl)-1-piperazinyl]-1-propanone [ACD/IUPAC Name]
3-(3-Chloro-1H-1,2,4-triazol-5-yl)-1-[4-(4-quinazolinyl)-1-pipérazinyl]-1-propanone [French] [ACD/IUPAC Name]
4-{4-[3-(3-chloro-1H-1,2,4-triazol-5-yl)propanoyl]-1-piperazinyl}quinazoline

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

Density: 1.4±0.1 g/cm3
Boiling Point: 693.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.3±34.3 °C
Index of Refraction: 1.682
Molar Refractivity: 97.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.60
Polar Surface Area: 91 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 79.5±3.0 dyne/cm
Molar Volume: 258.5±3.0 cm3

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