ChemSpider 2D Image | [4-(3-{[1-(Adamantan-1-yl)ethyl]amino}-4-nitrophenyl)-1-piperazinyl](2-methoxyphenyl)methanone | C30H38N4O4

[4-(3-{[1-(Adamantan-1-yl)ethyl]amino}-4-nitrophenyl)-1-piperazinyl](2-methoxyphenyl)methanone

  • Molecular FormulaC30H38N4O4
  • Average mass518.647 Da
  • Monoisotopic mass518.289307 Da
  • ChemSpider ID3854018

More details:

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

[4-(3-{[1-(Adamantan-1-yl)ethyl]amino}-4-nitrophenyl)-1-piperazinyl](2-methoxyphenyl)methanon [German] [ACD/IUPAC Name]
[4-(3-{[1-(Adamantan-1-yl)ethyl]amino}-4-nitrophenyl)-1-piperazinyl](2-methoxyphenyl)methanone [ACD/IUPAC Name]
[4-(3-{[1-(Adamantan-1-yl)éthyl]amino}-4-nitrophényl)-1-pipérazinyl](2-méthoxyphényl)méthanone [French] [ACD/IUPAC Name]
[4-(3-{[1-(Adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](2-methoxyphenyl)methanone
Methanone, (2-methoxyphenyl)[4-[4-nitro-3-[(1-tricyclo[3.3.1.13,7]dec-1-ylethyl)amino]phenyl]-1-piperazinyl]- [ACD/Index Name]
(2-methoxyphenyl)[4-(4-nitro-3-{[1-(tricyclo[3.3.1.13,7]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]methanone
{4-[3-(1-Adamantan-1-yl-ethylamino)-4-nitro-phenyl]-piperazin-1-yl}-(2-methoxy-phenyl)-methanone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 717.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 387.9±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 147.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.96
ACD/LogD (pH 5.5): 6.08
ACD/BCF (pH 5.5): 24596.07
ACD/KOC (pH 5.5): 48368.03
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 24597.83
ACD/KOC (pH 7.4): 48371.48
Polar Surface Area: 91 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 409.8±3.0 cm3

Click to predict properties on the Chemicalize site


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