ChemSpider 2D Image | (2Z)-3-[(2-Amino-5-methylphenyl)amino]-2-{[1-(2,4-dichlorobenzyl)-1H-indol-3-yl]methylene}-3-butenenitrile | C27H22Cl2N4

(2Z)-3-[(2-Amino-5-methylphenyl)amino]-2-{[1-(2,4-dichlorobenzyl)-1H-indol-3-yl]methylene}-3-butenenitrile

  • Molecular FormulaC27H22Cl2N4
  • Average mass473.396 Da
  • Monoisotopic mass472.122162 Da
  • ChemSpider ID79867975

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-[(2-Amino-5-methylphenyl)amino]-2-{[1-(2,4-dichlorbenzyl)-1H-indol-3-yl]methylen}-3-butennitril [German] [ACD/IUPAC Name]
(2Z)-3-[(2-Amino-5-methylphenyl)amino]-2-{[1-(2,4-dichlorobenzyl)-1H-indol-3-yl]methylene}-3-butenenitrile [ACD/IUPAC Name]
(2Z)-3-[(2-Amino-5-méthylphényl)amino]-2-{[1-(2,4-dichlorobenzyl)-1H-indol-3-yl]méthylène}-3-butènenitrile [French] [ACD/IUPAC Name]
3-Butenenitrile, 3-[(2-amino-5-methylphenyl)amino]-2-[[1-[(2,4-dichlorophenyl)methyl]-1H-indol-3-yl]methylene]-, (2Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 684.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.9±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 136.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 6.47
ACD/BCF (pH 5.5): 34955.51
ACD/KOC (pH 5.5): 41798.48
ACD/LogD (pH 7.4): 7.06
ACD/BCF (pH 7.4): 136314.48
ACD/KOC (pH 7.4): 162999.70
Polar Surface Area: 67 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 378.7±7.0 cm3

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