ChemSpider 2D Image | (Z)-1-[4-(4,6-Dimethyl-2-pyrimidinyl)-1-piperazinyl]-1-(3,5-dinitrophenyl)-N-(4-ethoxyphenyl)methanimine | C25H27N7O5

(Z)-1-[4-(4,6-Dimethyl-2-pyrimidinyl)-1-piperazinyl]-1-(3,5-dinitrophenyl)-N-(4-ethoxyphenyl)methanimine

  • Molecular FormulaC25H27N7O5
  • Average mass505.526 Da
  • Monoisotopic mass505.207367 Da
  • ChemSpider ID1724117

  • Double-bond stereo - Double-bond stereo

More details:

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

(Z)-1-[4-(4,6-Dimethyl-2-pyrimidinyl)-1-piperazinyl]-1-(3,5-dinitrophenyl)-N-(4-ethoxyphenyl)methanimin [German] [ACD/IUPAC Name]
(Z)-1-[4-(4,6-Dimethyl-2-pyrimidinyl)-1-piperazinyl]-1-(3,5-dinitrophenyl)-N-(4-ethoxyphenyl)methanimine [ACD/IUPAC Name]
(Z)-1-[4-(4,6-Diméthyl-2-pyrimidinyl)-1-pipérazinyl]-1-(3,5-dinitrophényl)-N-(4-éthoxyphényl)méthanimine [French] [ACD/IUPAC Name]
Benzenamine, N-[(1Z)-[4-(4,6-dimethyl-2-pyrimidinyl)-1-piperazinyl](3,5-dinitrophenyl)methylene]-4-ethoxy- [ACD/Index Name]

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

ZINC03143330 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 694.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 373.7±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 136.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 144.19
ACD/KOC (pH 5.5): 621.16
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1382.07
ACD/KOC (pH 7.4): 5953.97
Polar Surface Area: 145 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 370.7±7.0 cm3

Click to predict properties on the Chemicalize site


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