ChemSpider 2D Image | Ethyl 3-methyl-5-({4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl}sulfonyl)-1-benzofuran-2-carboxylate | C27H32N4O7S

Ethyl 3-methyl-5-({4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl}sulfonyl)-1-benzofuran-2-carboxylate

  • Molecular FormulaC27H32N4O7S
  • Average mass556.631 Da
  • Monoisotopic mass556.199158 Da
  • ChemSpider ID2916724

More details:

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

2-Benzofurancarboxylic acid, 3-methyl-5-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]sulfonyl]-, ethyl ester [ACD/Index Name]
3-Méthyl-5-({4-[4-nitro-3-(1-pipéridinyl)phényl]-1-pipérazinyl}sulfonyl)-1-benzofurane-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-methyl-5-({4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl}sulfonyl)-1-benzofuran-2-carboxylate [ACD/IUPAC Name]
Ethyl-3-methyl-5-({4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl}sulfonyl)-1-benzofuran-2-carboxylat [German] [ACD/IUPAC Name]
ETHYL 3-METHYL-5-({4-[4-NITRO-3-(PIPERIDIN-1-YL)PHENYL]PIPERAZIN-1-YL}SULFONYL)-1-BENZOFURAN-2-CARBOXYLATE
ETHYL 3-METHYL-5-{4-[4-NITRO-3-(PIPERIDIN-1-YL)PHENYL]PIPERAZIN-1-YLSULFONYL}-1-BENZOFURAN-2-CARBOXYLATE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 752.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 408.9±35.7 °C
Index of Refraction: 1.627
Molar Refractivity: 146.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7589.82
ACD/KOC (pH 5.5): 20822.30
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7622.21
ACD/KOC (pH 7.4): 20911.12
Polar Surface Area: 138 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 411.7±3.0 cm3

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