ChemSpider 2D Image | 6-Bromo-3-(3-{4-[(2,6-dimethyl-4-morpholinyl)methyl]-1-piperidinyl}-3-oxopropyl)-4(3H)-quinazolinone | C23H31BrN4O3

6-Bromo-3-(3-{4-[(2,6-dimethyl-4-morpholinyl)methyl]-1-piperidinyl}-3-oxopropyl)-4(3H)-quinazolinone

  • Molecular FormulaC23H31BrN4O3
  • Average mass491.421 Da
  • Monoisotopic mass490.157959 Da
  • ChemSpider ID78223645

More details:

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

4(3H)-Quinazolinone, 6-bromo-3-[3-[4-[(2,6-dimethyl-4-morpholinyl)methyl]-1-piperidinyl]-3-oxopropyl]- [ACD/Index Name]
6-Brom-3-(3-{4-[(2,6-dimethyl-4-morpholinyl)methyl]-1-piperidinyl}-3-oxopropyl)-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
6-Bromo-3-(3-{4-[(2,6-dimethyl-4-morpholinyl)methyl]-1-piperidinyl}-3-oxopropyl)-4(3H)-quinazolinone [ACD/IUPAC Name]
6-Bromo-3-(3-{4-[(2,6-diméthyl-4-morpholinyl)méthyl]-1-pipéridinyl}-3-oxopropyl)-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: 640.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.2±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 123.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 11.64
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 45.12
ACD/KOC (pH 7.4): 437.79
Polar Surface Area: 65 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 337.5±7.0 cm3

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