ChemSpider 2D Image | 7-Chloro-3-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butanyl]-4(3H)-quinazolinone | C20H16ClF2N5O2

7-Chloro-3-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butanyl]-4(3H)-quinazolinone

  • Molecular FormulaC20H16ClF2N5O2
  • Average mass431.823 Da
  • Monoisotopic mass431.096069 Da
  • ChemSpider ID71354315

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

4(3H)-Quinazolinone, 7-chloro-3-[(1R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]- [ACD/Index Name]
7-Chlor-3-[(2R)-3-(2,4-difluorphenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butanyl]-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
7-Chloro-3-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butanyl]-4(3H)-quinazolinone [ACD/IUPAC Name]
7-Chloro-3-[(2R)-3-(2,4-difluorophényl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butanyl]-4(3H)-quinazolinone [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 658.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 352.3±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 108.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.62
ACD/KOC (pH 5.5): 717.35
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.85
ACD/KOC (pH 7.4): 719.74
Polar Surface Area: 84 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 290.2±7.0 cm3

Click to predict properties on the Chemicalize site


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