ChemSpider 2D Image | [4-({(1S)-1-[(2,4-Dichlorophenyl)carbamoyl]-1,3-dihydro-2H-isoindol-2-yl}methyl)-2-methylphenoxy]acetic acid | C25H22Cl2N2O4

[4-({(1S)-1-[(2,4-Dichlorophenyl)carbamoyl]-1,3-dihydro-2H-isoindol-2-yl}methyl)-2-methylphenoxy]acetic acid

  • Molecular FormulaC25H22Cl2N2O4
  • Average mass485.359 Da
  • Monoisotopic mass484.095673 Da
  • ChemSpider ID26325515

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[4-({(1S)-1-[(2,4-Dichlorophenyl)carbamoyl]-1,3-dihydro-2H-isoindol-2-yl}methyl)-2-methylphenoxy]acetic acid [ACD/IUPAC Name]
[4-({(1S)-1-[(2,4-Dichlorphenyl)carbamoyl]-1,3-dihydro-2H-isoindol-2-yl}methyl)-2-methylphenoxy]essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[4-[[(1S)-1-[[(2,4-dichlorophenyl)amino]carbonyl]-1,3-dihydro-2H-isoindol-2-yl]methyl]-2-methylphenoxy]- [ACD/Index Name]
Acide [4-({(1S)-1-[(2,4-dichlorophényl)carbamoyl]-1,3-dihydro-2H-isoindol-2-yl}méthyl)-2-méthylphénoxy]acétique [French] [ACD/IUPAC Name]
3OZ

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

Density: 1.4±0.1 g/cm3
Boiling Point: 672.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 360.3±31.5 °C
Index of Refraction: 1.671
Molar Refractivity: 127.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 11.40
ACD/KOC (pH 5.5): 44.65
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.15
Polar Surface Area: 79 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 65.3±3.0 dyne/cm
Molar Volume: 341.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement