ChemSpider 2D Image | Ethyl 4-{[(2-{butyl[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-2-oxoethyl)(3-ethoxypropyl)carbamoyl]amino}benzoate | C27H40N4O5

Ethyl 4-{[(2-{butyl[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-2-oxoethyl)(3-ethoxypropyl)carbamoyl]amino}benzoate

  • Molecular FormulaC27H40N4O5
  • Average mass500.630 Da
  • Monoisotopic mass500.299866 Da
  • ChemSpider ID2732396

More details:

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

4-{[(2-{Butyl[(1-méthyl-1H-pyrrol-2-yl)méthyl]amino}-2-oxoéthyl)(3-éthoxypropyl)carbamoyl]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[[2-[butyl[(1-methyl-1H-pyrrol-2-yl)methyl]amino]-2-oxoethyl](3-ethoxypropyl)amino]carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[(2-{butyl[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-2-oxoethyl)(3-ethoxypropyl)carbamoyl]amino}benzoate [ACD/IUPAC Name]
Ethyl-4-{[(2-{butyl[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-2-oxoethyl)(3-ethoxypropyl)carbamoyl]amino}benzoat [German] [ACD/IUPAC Name]
ETHYL 4-{[({BUTYL[(1-METHYL-1H-PYRROL-2-YL)METHYL]CARBAMOYL}METHYL)(3-ETHOXYPROPYL)CARBAMOYL]AMINO}BENZOATE
ETHYL 4-{[({BUTYL[(1-METHYLPYRROL-2-YL)METHYL]CARBAMOYL}METHYL)(3-ETHOXYPROPYL)CARBAMOYL]AMINO}BENZOATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 690.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.6±31.5 °C
Index of Refraction: 1.544
Molar Refractivity: 141.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 398.51
ACD/KOC (pH 5.5): 2529.31
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 398.51
ACD/KOC (pH 7.4): 2529.28
Polar Surface Area: 93 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 41.1±7.0 dyne/cm
Molar Volume: 448.1±7.0 cm3

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