ChemSpider 2D Image | 3,3'-[{[2-(4-Methyl-1H-pyrazol-1-yl)ethyl]imino}bis(methylene)]bis[N-(2-furylmethyl)benzamide] | C32H33N5O4

3,3'-[{[2-(4-Methyl-1H-pyrazol-1-yl)ethyl]imino}bis(methylene)]bis[N-(2-furylmethyl)benzamide]

  • Molecular FormulaC32H33N5O4
  • Average mass551.635 Da
  • Monoisotopic mass551.253235 Da
  • ChemSpider ID30239444

More details:

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

3,3'-({[2-(4-Methyl-1H-pyrazol-1-yl)ethyl]imino}dimethylen)bis[N-(2-furylmethyl)benzamid] [German] [ACD/IUPAC Name]
3,3'-({[2-(4-Méthyl-1H-pyrazol-1-yl)éthyl]imino}diméthylène)bis[N-(2-furylméthyl)benzamide] [French] [ACD/IUPAC Name]
3,3'-[{[2-(4-Methyl-1H-pyrazol-1-yl)ethyl]imino}bis(methylene)]bis[N-(2-furylmethyl)benzamide] [ACD/IUPAC Name]
Benzamide, 3,3'-[[[2-(4-methyl-1H-pyrazol-1-yl)ethyl]imino]bis(methylene)]bis[N-(2-furanylmethyl)- [ACD/Index Name]
N-(FURAN-2-YLMETHYL)-3-{[({3-[(FURAN-2-YLMETHYL)CARBAMOYL]PHENYL}METHYL)[2-(4-METHYLPYRAZOL-1-YL)ETHYL]AMINO]METHYL}BENZAMIDE
N-[(FURAN-2-YL)METHYL]-3-({[(3-{[(FURAN-2-YL)METHYL]CARBAMOYL}PHENYL)METHYL][2-(4-METHYL-1H-PYRAZOL-1-YL)ETHYL]AMINO}METHYL)BENZAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 755.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 410.9±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 158.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 164.01
ACD/KOC (pH 5.5): 786.28
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 999.64
ACD/KOC (pH 7.4): 4792.53
Polar Surface Area: 106 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 446.7±7.0 cm3

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