ChemSpider 2D Image | 3-(1,3-Benzodioxol-5-yl)-3-({N-[(4-{[(2,6-dichlorophenyl)carbamoyl]amino}phenoxy)acetyl]leucyl}amino)propanoic acid | C31H32Cl2N4O8

3-(1,3-Benzodioxol-5-yl)-3-({N-[(4-{[(2,6-dichlorophenyl)carbamoyl]amino}phenoxy)acetyl]leucyl}amino)propanoic acid

  • Molecular FormulaC31H32Cl2N4O8
  • Average mass659.514 Da
  • Monoisotopic mass658.159729 Da
  • ChemSpider ID8071614

More details:

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

1,3-Benzodioxole-5-propanoic acid, β-[[2-[[2-[4-[[[(2,6-dichlorophenyl)amino]carbonyl]amino]phenoxy]acetyl]amino]-4-methyl-1-oxopentyl]amino]- [ACD/Index Name]
3-(1,3-Benzodioxol-5-yl)-3-({N-[(4-{[(2,6-dichlorophenyl)carbamoyl]amino}phenoxy)acetyl]leucyl}amino)propanoic acid [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-3-({N-[(4-{[(2,6-dichlorphenyl)carbamoyl]amino}phenoxy)acetyl]leucyl}amino)propansäure [German] [ACD/IUPAC Name]
Acide 3-(1,3-benzodioxol-5-yl)-3-({N-[2-(4-{[(2,6-dichlorophényl)carbamoyl]amino}phénoxy)acétyl]leucyl}amino)propanoïque [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: 823.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.4±3.0 kJ/mol
Flash Point: 451.6±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 167.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 85.97
ACD/KOC (pH 5.5): 333.06
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 1.52
ACD/KOC (pH 7.4): 5.90
Polar Surface Area: 164 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 462.7±3.0 cm3

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