Found 3 results

Search term: IXSHWPUVPCSMHJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-({4-[(Z)-{[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]hydrazono}methyl]-2-ethoxyphenoxy}methyl)benzonitrile | C29H33N7O2

2-({4-[(Z)-{[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]hydrazono}methyl]-2-ethoxyphenoxy}methyl)benzonitrile

  • Molecular FormulaC29H33N7O2
  • Average mass511.618 Da
  • Monoisotopic mass511.269562 Da
  • ChemSpider ID4758318

  • Double-bond stereo - Double-bond stereo

More details:

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

2-({4-[(Z)-{[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]hydrazono}methyl]-2-ethoxyphenoxy}methyl)benzonitril [German] [ACD/IUPAC Name]
2-({4-[(Z)-{[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]hydrazono}methyl]-2-ethoxyphenoxy}methyl)benzonitrile [ACD/IUPAC Name]
2-({4-[(Z)-{[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]hydrazono}méthyl]-2-éthoxyphénoxy}méthyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[[4-[(Z)-[2-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]methyl]- [ACD/Index Name]

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

ZINC08407615 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 733.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 397.6±35.7 °C
Index of Refraction: 1.651
Molar Refractivity: 148.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 134.74
ACD/KOC (pH 5.5): 295.05
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 4740.02
ACD/KOC (pH 7.4): 10379.97
Polar Surface Area: 99 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 405.5±7.0 cm3

Click to predict properties on the Chemicalize site


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