ChemSpider 2D Image | [3-(4-Fluorophenyl)-1-pyrrolidinyl][1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-4-piperidinyl]methanone | C28H31FN4O

[3-(4-Fluorophenyl)-1-pyrrolidinyl][1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-4-piperidinyl]methanone

  • Molecular FormulaC28H31FN4O
  • Average mass458.570 Da
  • Monoisotopic mass458.248199 Da
  • ChemSpider ID22126440

More details:

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

[3-(4-Fluorophenyl)-1-pyrrolidinyl][1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-4-piperidinyl]methanone [ACD/IUPAC Name]
[3-(4-Fluorophényl)-1-pyrrolidinyl][1-(4-méthyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-4-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
[3-(4-Fluorphenyl)-1-pyrrolidinyl][1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]chinazolin-2-yl)-4-piperidinyl]methanon [German] [ACD/IUPAC Name]
Methanone, [1-(7,8-dihydro-4-methyl-6H-cyclopenta[g]quinazolin-2-yl)-4-piperidinyl][3-(4-fluorophenyl)-1-pyrrolidinyl]- [ACD/Index Name]
2-(4-{[3-(4-fluorophenyl)-1-pyrrolidinyl]carbonyl}-1-piperidinyl)-4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazoline

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

Density: 1.3±0.1 g/cm3
Boiling Point: 679.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.6±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 131.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 3301.09
ACD/KOC (pH 5.5): 8518.04
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 9238.77
ACD/KOC (pH 7.4): 23839.44
Polar Surface Area: 49 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 363.1±3.0 cm3

Click to predict properties on the Chemicalize site


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