ChemSpider 2D Image | Diethyl (4-{4-[(2-hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl)amino]-1-piperidinyl}benzylidene)malonate | C28H37N3O8S

Diethyl (4-{4-[(2-hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl)amino]-1-piperidinyl}benzylidene)malonate

  • Molecular FormulaC28H37N3O8S
  • Average mass575.674 Da
  • Monoisotopic mass575.230164 Da
  • ChemSpider ID8385711

More details:

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

(4-{4-[(2-Hydroxy-2-{4-hydroxy-3-[(méthylsulfonyl)amino]phényl}éthyl)amino]-1-pipéridinyl}benzylidène)malonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl (4-{4-[(2-hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl)amino]-1-piperidinyl}benzylidene)malonate [ACD/IUPAC Name]
Diethyl-(4-{4-[(2-hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl)amino]-1-piperidinyl}benzyliden)malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[[4-[4-[[2-hydroxy-2-[4-hydroxy-3-[(methylsulfonyl)amino]phenyl]ethyl]amino]-1-piperidinyl]phenyl]methylene]-, diethyl 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: 745.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 404.5±35.7 °C
Index of Refraction: 1.623
Molar Refractivity: 149.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.38
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 19.65
Polar Surface Area: 163 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 425.1±5.0 cm3

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