ChemSpider 2D Image | 2-[(1R)-1-{4-[(4-Chlorophenoxy)acetyl]-1-piperazinyl}ethyl]-3-(2-ethoxyphenyl)-4(3H)-quinazolinone | C30H31ClN4O4

2-[(1R)-1-{4-[(4-Chlorophenoxy)acetyl]-1-piperazinyl}ethyl]-3-(2-ethoxyphenyl)-4(3H)-quinazolinone

  • Molecular FormulaC30H31ClN4O4
  • Average mass547.044 Da
  • Monoisotopic mass546.203369 Da
  • ChemSpider ID115052353

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(1R)-1-{4-[(4-Chlorophenoxy)acetyl]-1-piperazinyl}ethyl]-3-(2-ethoxyphenyl)-4(3H)-quinazolinone [ACD/IUPAC Name]
2-[(1R)-1-{4-[(4-Chlorphenoxy)acetyl]-1-piperazinyl}ethyl]-3-(2-ethoxyphenyl)-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
2-[(1R)-1-{4-[2-(4-Chlorophénoxy)acétyl]-1-pipérazinyl}éthyl]-3-(2-éthoxyphényl)-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 2-[(1R)-1-[4-[2-(4-chlorophenoxy)acetyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)- [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: 721.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.4±35.7 °C
Index of Refraction: 1.634
Molar Refractivity: 151.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 695.14
ACD/KOC (pH 5.5): 3676.98
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 755.79
ACD/KOC (pH 7.4): 3997.82
Polar Surface Area: 75 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 424.4±7.0 cm3

Click to predict properties on the Chemicalize site


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