ChemSpider 2D Image | 1-(1,3-Benzodioxol-5-ylamino)-1-oxo-2-propanyl 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate | C20H18ClNO7

1-(1,3-Benzodioxol-5-ylamino)-1-oxo-2-propanyl 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

  • Molecular FormulaC20H18ClNO7
  • Average mass419.812 Da
  • Monoisotopic mass419.077179 Da
  • ChemSpider ID22563579

More details:

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

1-(1,3-Benzodioxol-5-ylamino)-1-oxo-2-propanyl 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-ylamino)-1-oxo-2-propanyl-9-chlor-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylat [German] [ACD/IUPAC Name]
2H-1,5-Benzodioxepin-7-carboxylic acid, 9-chloro-3,4-dihydro-, 2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxoethyl ester [ACD/Index Name]
9-Chloro-3,4-dihydro-2H-1,5-benzodioxépine-7-carboxylate de 1-(1,3-benzodioxol-5-ylamino)-1-oxo-2-propanyle [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: 644.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.7±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 102.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 473.02
ACD/KOC (pH 5.5): 2859.44
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 473.02
ACD/KOC (pH 7.4): 2859.41
Polar Surface Area: 92 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 291.5±3.0 cm3

Click to predict properties on the Chemicalize site


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