ChemSpider 2D Image | 4-(3-{[2-(1-Azepanyl)-2-(4-methylphenyl)ethyl]amino}-2-[(3,6-dichloro-2-methoxybenzoyl)amino]-3-oxopropyl)phenyl acetate | C34H39Cl2N3O5

4-(3-{[2-(1-Azepanyl)-2-(4-methylphenyl)ethyl]amino}-2-[(3,6-dichloro-2-methoxybenzoyl)amino]-3-oxopropyl)phenyl acetate

  • Molecular FormulaC34H39Cl2N3O5
  • Average mass640.597 Da
  • Monoisotopic mass639.226685 Da
  • ChemSpider ID121133833

More details:

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

4-(3-{[2-(1-Azepanyl)-2-(4-methylphenyl)ethyl]amino}-2-[(3,6-dichlor-2-methoxybenzoyl)amino]-3-oxopropyl)phenyl-acetat [German] [ACD/IUPAC Name]
4-(3-{[2-(1-Azepanyl)-2-(4-methylphenyl)ethyl]amino}-2-[(3,6-dichloro-2-methoxybenzoyl)amino]-3-oxopropyl)phenyl acetate [ACD/IUPAC Name]
Acétate de 4-(3-{[2-(1-azépanyl)-2-(4-méthylphényl)éthyl]amino}-2-[(3,6-dichloro-2-méthoxybenzoyl)amino]-3-oxopropyl)phényle [French] [ACD/IUPAC Name]
Benzenepropanamide, 4-(acetyloxy)-α-[(3,6-dichloro-2-methoxybenzoyl)amino]-N-[2-(hexahydro-1H-azepin-1-yl)-2-(4-methylphenyl)ethyl]- [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: 777.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 424.2±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 172.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 55.35
ACD/KOC (pH 5.5): 123.20
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 2814.78
ACD/KOC (pH 7.4): 6264.98
Polar Surface Area: 97 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 513.9±3.0 cm3

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