ChemSpider 2D Image | 4-(2-{[4-(Dimethylamino)-3-nitrobenzoyl]amino}-3-{[3-(4-fluorophenyl)-3-hydroxypropyl]amino}-3-oxopropyl)phenyl acetate | C29H31FN4O7

4-(2-{[4-(Dimethylamino)-3-nitrobenzoyl]amino}-3-{[3-(4-fluorophenyl)-3-hydroxypropyl]amino}-3-oxopropyl)phenyl acetate

  • Molecular FormulaC29H31FN4O7
  • Average mass566.577 Da
  • Monoisotopic mass566.217651 Da
  • ChemSpider ID121126632

More details:

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

4-(2-{[4-(Dimethylamino)-3-nitrobenzoyl]amino}-3-{[3-(4-fluorophenyl)-3-hydroxypropyl]amino}-3-oxopropyl)phenyl acetate [ACD/IUPAC Name]
4-(2-{[4-(Dimethylamino)-3-nitrobenzoyl]amino}-3-{[3-(4-fluorphenyl)-3-hydroxypropyl]amino}-3-oxopropyl)phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-(2-{[4-(diméthylamino)-3-nitrobenzoyl]amino}-3-{[3-(4-fluorophényl)-3-hydroxypropyl]amino}-3-oxopropyl)phényle [French] [ACD/IUPAC Name]
Benzenepropanamide, 4-(acetyloxy)-α-[[4-(dimethylamino)-3-nitrobenzoyl]amino]-N-[3-(4-fluorophenyl)-3-hydroxypropyl]- [ACD/Index 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: 815.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.3±3.0 kJ/mol
Flash Point: 447.1±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 149.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 186.62
ACD/KOC (pH 5.5): 1469.46
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 186.61
ACD/KOC (pH 7.4): 1469.38
Polar Surface Area: 154 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 430.0±3.0 cm3

Click to predict properties on the Chemicalize site


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