ChemSpider 2D Image | 2-(2-Naphthylamino)-2-oxoethyl 4-{2-[(4-bromophenyl)amino]-2-oxoethoxy}-3-methoxybenzoate | C28H23BrN2O6

2-(2-Naphthylamino)-2-oxoethyl 4-{2-[(4-bromophenyl)amino]-2-oxoethoxy}-3-methoxybenzoate

  • Molecular FormulaC28H23BrN2O6
  • Average mass563.396 Da
  • Monoisotopic mass562.073914 Da
  • ChemSpider ID1794523

More details:

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

2-(2-Naphthylamino)-2-oxoethyl 4-{2-[(4-bromophenyl)amino]-2-oxoethoxy}-3-methoxybenzoate [ACD/IUPAC Name]
2-(2-Naphthylamino)-2-oxoethyl-4-{2-[(4-bromphenyl)amino]-2-oxoethoxy}-3-methoxybenzoat [German] [ACD/IUPAC Name]
4-{2-[(4-Bromophényl)amino]-2-oxoéthoxy}-3-méthoxybenzoate de 2-(2-naphtylamino)-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2-[(4-bromophenyl)amino]-2-oxoethoxy]-3-methoxy-, 2-(2-naphthalenylamino)-2-oxoethyl ester [ACD/Index Name]

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

ZINC03287549 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 841.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 462.9±34.3 °C
Index of Refraction: 1.685
Molar Refractivity: 144.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5472.13
ACD/KOC (pH 5.5): 16495.46
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5472.06
ACD/KOC (pH 7.4): 16495.24
Polar Surface Area: 103 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 380.6±3.0 cm3

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