ChemSpider 2D Image | N-Ethyl-N-[(3-{2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethoxy}-2-pyridinyl)carbamoyl]-beta-alanine | C20H23N5O8

N-Ethyl-N-[(3-{2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethoxy}-2-pyridinyl)carbamoyl]-β-alanine

  • Molecular FormulaC20H23N5O8
  • Average mass461.425 Da
  • Monoisotopic mass461.154663 Da
  • ChemSpider ID65976828

More details:

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

N-Ethyl-N-[(3-{2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethoxy}-2-pyridinyl)carbamoyl]-β-alanin [German] [ACD/IUPAC Name]
N-Ethyl-N-[(3-{2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethoxy}-2-pyridinyl)carbamoyl]-β-alanine [ACD/IUPAC Name]
N-Éthyl-N-[(3-{2-[(4-méthoxy-2-nitrophényl)amino]-2-oxoéthoxy}-2-pyridinyl)carbamoyl]-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-ethyl-N-[[[3-[2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethoxy]-2-pyridinyl]amino]carbonyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 825.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 453.0±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 116.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.09
ACD/LogD (pH 7.4): -1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 321.0±3.0 cm3

Click to predict properties on the Chemicalize site


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