ChemSpider 2D Image | N-[4-({4-[(2-Methoxy-5-methylphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-1,3-benzodioxole-5-carboxamide | C30H29N3O7S

N-[4-({4-[(2-Methoxy-5-methylphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-1,3-benzodioxole-5-carboxamide

  • Molecular FormulaC30H29N3O7S
  • Average mass575.632 Da
  • Monoisotopic mass575.172607 Da
  • ChemSpider ID29268819

More details:

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

1,3-Benzodioxole-5-carboxamide, N-[4-[[2,5-dihydro-4-[(2-methoxy-5-methylphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-1H-pyrrol-3-yl]thio]phenyl]- [ACD/Index Name]
N-[4-({4-[(2-Methoxy-5-methylphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-1,3-benzodioxol-5-carboxamid [German] [ACD/IUPAC Name]
N-[4-({4-[(2-Methoxy-5-methylphenyl)amino]-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-1,3-benzodioxole-5-carboxamide [ACD/IUPAC Name]
N-[4-({4-[(2-Méthoxy-5-méthylphényl)amino]-1-(3-méthoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phényl]-1,3-benzodioxole-5-carboxamide [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: 661.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.9±31.5 °C
Index of Refraction: 1.679
Molar Refractivity: 153.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 108.25
ACD/KOC (pH 5.5): 995.07
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 108.25
ACD/KOC (pH 7.4): 995.06
Polar Surface Area: 141 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 407.1±5.0 cm3

Click to predict properties on the Chemicalize site


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