ChemSpider 2D Image | 4-{2-[(2-Bromobenzoyl)amino]-3-[cyclohexyl(L-prolyl)amino]-3-oxopropyl}phenyl acetate | C29H34BrN3O5

4-{2-[(2-Bromobenzoyl)amino]-3-[cyclohexyl(L-prolyl)amino]-3-oxopropyl}phenyl acetate

  • Molecular FormulaC29H34BrN3O5
  • Average mass584.501 Da
  • Monoisotopic mass583.168152 Da
  • ChemSpider ID122887790

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-Pyrrolidinecarboxamide, N-[3-[4-(acetyloxy)phenyl]-2-[(2-bromobenzoyl)amino]-1-oxopropyl]-N-cyclohexyl-, (2S)- [ACD/Index Name]
4-{2-[(2-Brombenzoyl)amino]-3-[cyclohexyl(L-prolyl)amino]-3-oxopropyl}phenyl-acetat [German] [ACD/IUPAC Name]
4-{2-[(2-Bromobenzoyl)amino]-3-[cyclohexyl(L-prolyl)amino]-3-oxopropyl}phenyl acetate [ACD/IUPAC Name]
Acétate de 4-{2-[(2-bromobenzoyl)amino]-3-[cyclohexyl(L-prolyl)amino]-3-oxopropyl}phényle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 746.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 405.5±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 147.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 2.39
ACD/KOC (pH 5.5): 13.56
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 121.91
ACD/KOC (pH 7.4): 692.24
Polar Surface Area: 105 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 417.7±5.0 cm3

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