ChemSpider 2D Image | 4-{2-[(2-Bromo-3,4,5-trimethoxybenzoyl)amino]-3-({2-[4-(dimethylamino)phenyl]-2-(1-piperidinyl)ethyl}amino)-3-oxopropyl}phenyl acetate | C36H45BrN4O7

4-{2-[(2-Bromo-3,4,5-trimethoxybenzoyl)amino]-3-({2-[4-(dimethylamino)phenyl]-2-(1-piperidinyl)ethyl}amino)-3-oxopropyl}phenyl acetate

  • Molecular FormulaC36H45BrN4O7
  • Average mass725.669 Da
  • Monoisotopic mass724.247131 Da
  • ChemSpider ID121034879

More details:

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

4-{2-[(2-Brom-3,4,5-trimethoxybenzoyl)amino]-3-({2-[4-(dimethylamino)phenyl]-2-(1-piperidinyl)ethyl}amino)-3-oxopropyl}phenyl-acetat [German] [ACD/IUPAC Name]
4-{2-[(2-Bromo-3,4,5-trimethoxybenzoyl)amino]-3-({2-[4-(dimethylamino)phenyl]-2-(1-piperidinyl)ethyl}amino)-3-oxopropyl}phenyl acetate [ACD/IUPAC Name]
Acétate de 4-{2-[(2-bromo-3,4,5-triméthoxybenzoyl)amino]-3-({2-[4-(diméthylamino)phényl]-2-(1-pipéridinyl)éthyl}amino)-3-oxopropyl}phényle [French] [ACD/IUPAC Name]
Benzenepropanamide, 4-(acetyloxy)-α-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-N-[2-[4-(dimethylamino)phenyl]-2-(1-piperidinyl)ethyl]- [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: 801.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 438.7±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 189.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 1.70
ACD/KOC (pH 5.5): 7.78
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 59.49
ACD/KOC (pH 7.4): 272.69
Polar Surface Area: 119 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 558.2±3.0 cm3

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