ChemSpider 2D Image | 3-[(2-Furylmethyl)sulfanyl]-4-[(4-iodo-2-methylphenyl)amino]-1-(3-methoxyphenyl)-1H-pyrrole-2,5-dione | C23H19IN2O4S

3-[(2-Furylmethyl)sulfanyl]-4-[(4-iodo-2-methylphenyl)amino]-1-(3-methoxyphenyl)-1H-pyrrole-2,5-dione

  • Molecular FormulaC23H19IN2O4S
  • Average mass546.377 Da
  • Monoisotopic mass546.010986 Da
  • ChemSpider ID60101460

More details:

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

1H-Pyrrole-2,5-dione, 3-[(2-furanylmethyl)thio]-4-[(4-iodo-2-methylphenyl)amino]-1-(3-methoxyphenyl)- [ACD/Index Name]
3-[(2-Furylmethyl)sulfanyl]-4-[(4-iod-2-methylphenyl)amino]-1-(3-methoxyphenyl)-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3-[(2-Furylmethyl)sulfanyl]-4-[(4-iodo-2-methylphenyl)amino]-1-(3-methoxyphenyl)-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-[(2-Furylméthyl)sulfanyl]-4-[(4-iodo-2-méthylphényl)amino]-1-(3-méthoxyphényl)-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 602.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.3±31.5 °C
Index of Refraction: 1.719
Molar Refractivity: 128.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2328.22
ACD/KOC (pH 5.5): 8947.72
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2328.22
ACD/KOC (pH 7.4): 8947.72
Polar Surface Area: 97 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 326.6±5.0 cm3

Click to predict properties on the Chemicalize site


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