ChemSpider 2D Image | Ethyl 4-{[(2-{(1,3-benzodioxol-5-ylmethyl)[(5-methyl-2-furyl)methyl]amino}-2-oxoethyl)(isobutyl)carbamoyl]amino}benzoate | C30H35N3O7

Ethyl 4-{[(2-{(1,3-benzodioxol-5-ylmethyl)[(5-methyl-2-furyl)methyl]amino}-2-oxoethyl)(isobutyl)carbamoyl]amino}benzoate

  • Molecular FormulaC30H35N3O7
  • Average mass549.615 Da
  • Monoisotopic mass549.247498 Da
  • ChemSpider ID22570553

More details:

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

4-{[(2-{(1,3-Benzodioxol-5-ylméthyl)[(5-méthyl-2-furyl)méthyl]amino}-2-oxoéthyl)(isobutyl)carbamoyl]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[[2-[(1,3-benzodioxol-5-ylmethyl)[(5-methyl-2-furanyl)methyl]amino]-2-oxoethyl](2-methylpropyl)amino]carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[(2-{(1,3-benzodioxol-5-ylmethyl)[(5-methyl-2-furyl)methyl]amino}-2-oxoethyl)(isobutyl)carbamoyl]amino}benzoate [ACD/IUPAC Name]
Ethyl-4-{[(2-{(1,3-benzodioxol-5-ylmethyl)[(5-methyl-2-furyl)methyl]amino}-2-oxoethyl)(isobutyl)carbamoyl]amino}benzoat [German] [ACD/IUPAC 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: 734.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.0±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 149.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 596.65
ACD/KOC (pH 5.5): 3376.48
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 596.65
ACD/KOC (pH 7.4): 3376.45
Polar Surface Area: 111 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 436.1±3.0 cm3

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