ChemSpider 2D Image | 2-[(2-{2-[Benzyl(2-hydroxyethyl)amino]-2-oxoethyl}-4-pentenoyl)amino]-3-(2-naphthylamino)-3-oxopropyl 2-benzyl-4-pentenoate | C41H45N3O6

2-[(2-{2-[Benzyl(2-hydroxyethyl)amino]-2-oxoethyl}-4-pentenoyl)amino]-3-(2-naphthylamino)-3-oxopropyl 2-benzyl-4-pentenoate

  • Molecular FormulaC41H45N3O6
  • Average mass675.813 Da
  • Monoisotopic mass675.330811 Da
  • ChemSpider ID3802330

More details:

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

2-[(2-{2-[Benzyl(2-hydroxyethyl)amino]-2-oxoethyl}-4-pentenoyl)amino]-3-(2-naphthylamino)-3-oxopropyl 2-benzyl-4-pentenoate [ACD/IUPAC Name]
2-[(2-{2-[Benzyl(2-hydroxyethyl)amino]-2-oxoethyl}-4-pentenoyl)amino]-3-(2-naphthylamino)-3-oxopropyl-2-benzyl-4-pentenoat [German] [ACD/IUPAC Name]
2-Benzyl-4-penténoate de 2-[(2-{2-[benzyl(2-hydroxyéthyl)amino]-2-oxoéthyl}-4-pentenoyl)amino]-3-(2-naphtylamino)-3-oxopropyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-2-propen-1-yl-, 2-[[2-[2-[(2-hydroxyethyl)(phenylmethyl)amino]-2-oxoethyl]-1-oxo-4-penten-1-yl]amino]-3-(2-naphthalenylamino)-3-oxopropyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 912.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.0±3.0 kJ/mol
Flash Point: 505.5±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 196.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 7.49
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 39061.95
ACD/KOC (pH 5.5): 67353.56
ACD/LogD (pH 7.4): 6.34
ACD/BCF (pH 7.4): 39061.78
ACD/KOC (pH 7.4): 67353.27
Polar Surface Area: 125 Å2
Polarizability: 77.7±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 561.3±3.0 cm3

Click to predict properties on the Chemicalize site


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