ChemSpider 2D Image | 1-Oxo-1-{[4-(1-piperidinyl)phenyl]amino}-2-propanyl 2-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]benzoate | C29H31N3O7S

1-Oxo-1-{[4-(1-piperidinyl)phenyl]amino}-2-propanyl 2-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]benzoate

  • Molecular FormulaC29H31N3O7S
  • Average mass565.637 Da
  • Monoisotopic mass565.188293 Da
  • ChemSpider ID10954504

More details:

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

1-Oxo-1-{[4-(1-piperidinyl)phenyl]amino}-2-propanyl 2-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]benzoate [ACD/IUPAC Name]
1-Oxo-1-{[4-(1-piperidinyl)phenyl]amino}-2-propanyl-2-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]benzoat [German] [ACD/IUPAC Name]
2-[(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]benzoate de 1-oxo-1-{[4-(1-pipéridinyl)phényl]amino}-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]amino]-, 1-methyl-2-oxo-2-[[4-(1-piperidinyl)phenyl]amino]ethyl ester [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 148.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 2692.41
ACD/KOC (pH 5.5): 8182.43
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 2905.65
ACD/KOC (pH 7.4): 8830.49
Polar Surface Area: 132 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 412.0±3.0 cm3

Click to predict properties on the Chemicalize site


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