ChemSpider 2D Image | 5-(2-Chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-(1-isopropyl-4-piperidinyl)-3,4-dihydro-2(1H)-quinazolinone | C28H27Cl3FN3O

5-(2-Chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-(1-isopropyl-4-piperidinyl)-3,4-dihydro-2(1H)-quinazolinone

  • Molecular FormulaC28H27Cl3FN3O
  • Average mass546.891 Da
  • Monoisotopic mass545.120361 Da
  • ChemSpider ID19564935

More details:






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

2(1H)-Quinazolinone, 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydro-7-[1-(1-methylethyl)-4-piperidinyl]- [ACD/Index Name]
5-(2-Chlor-4-fluorphenyl)-1-(2,6-dichlorphenyl)-7-(1-isopropyl-4-piperidinyl)-3,4-dihydro-2(1H)-chinazolinon [German] [ACD/IUPAC Name]
5-(2-Chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-(1-isopropyl-4-piperidinyl)-3,4-dihydro-2(1H)-quinazolinone [ACD/IUPAC Name]
5-(2-Chloro-4-fluorophényl)-1-(2,6-dichlorophényl)-7-(1-isopropyl-4-pipéridinyl)-3,4-dihydro-2(1H)-quinazolinone [French] [ACD/IUPAC Name]
5-(2-Chloro-4-Fluorophenyl)-1-(2,6-Dichlorophenyl)-7-[1-(1-Methylethyl)piperidin-4-Yl]-3,4-Dihydroquinazolin-2(1h)-One
5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(propan-2-yl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1H)-one
5-(2-Chloro-4-fluoro-phenyl)-1-(2,6-dichloro-phenyl)-7-(1-isopropyl-piperidin-4-yl)-3,4-dihydro-1H-quinazolin-2-one
5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-(1-isopropylpiperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one
B45
CHEMBL328242

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 688.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 370.2±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 143.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 55.89
ACD/KOC (pH 5.5): 93.41
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 1647.22
ACD/KOC (pH 7.4): 2753.26
Polar Surface Area: 36 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 413.8±3.0 cm3

Click to predict properties on the Chemicalize site






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