ChemSpider 2D Image | (1-Methyl-2-azepanyl){4-[2-(4-{[methyl(6-quinolinylmethyl)amino]methyl}phenoxy)ethyl]-1-piperazinyl}methanone | C32H43N5O2

(1-Methyl-2-azepanyl){4-[2-(4-{[methyl(6-quinolinylmethyl)amino]methyl}phenoxy)ethyl]-1-piperazinyl}methanone

  • Molecular FormulaC32H43N5O2
  • Average mass529.716 Da
  • Monoisotopic mass529.341675 Da
  • ChemSpider ID52586869

More details:

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

(1-Méthyl-2-azépanyl){4-[2-(4-{[méthyl(6-quinoléinylméthyl)amino]méthyl}phénoxy)éthyl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
(1-Methyl-2-azepanyl){4-[2-(4-{[methyl(6-quinolinylmethyl)amino]methyl}phenoxy)ethyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
{4-[2-(4-{[(6-Chinolinylmethyl)(methyl)amino]methyl}phenoxy)ethyl]-1-piperazinyl}(1-methyl-2-azepanyl)methanon [German] [ACD/IUPAC Name]
Methanone, (hexahydro-1-methyl-1H-azepin-2-yl)[4-[2-[4-[[methyl(6-quinolinylmethyl)amino]methyl]phenoxy]ethyl]-1-piperazinyl]- [ACD/Index Name]
METHYL[(4-{2-[4-(1-METHYLAZEPANE-2-CARBONYL)PIPERAZIN-1-YL]ETHOXY}PHENYL)METHYL](QUINOLIN-6-YLMETHYL)AMINE
METHYL[(4-{2-[4-(1-METHYLAZEPANE-2-CARBONYL)PIPERAZIN-1-YL]ETHOXY}PHENYL)METHYL][(QUINOLIN-6-YL)METHYL]AMINE
N-methyl-1-[4-(2-{4-[(1-methyl-2-azepanyl)carbonyl]-1-piperazinyl}ethoxy)phenyl]-N-(6-quinolinylmethyl)methanamine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 685.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.3±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 158.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.17
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 11.33
ACD/KOC (pH 7.4): 74.64
Polar Surface Area: 52 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 461.7±3.0 cm3

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