Found 59 results

Search term: MF = 'C_{20}H_{30}N_{2}O_{7}S_{2}'
ChemSpider 2D Image | Ethyl 4-({(3S,4R)-4-[(4-methoxy-3-methylphenyl)sulfonyl]-1,1-dioxidotetrahydro-3-thiophenyl}amino)-1-piperidinecarboxylate | C20H30N2O7S2

Ethyl 4-({(3S,4R)-4-[(4-methoxy-3-methylphenyl)sulfonyl]-1,1-dioxidotetrahydro-3-thiophenyl}amino)-1-piperidinecarboxylate

  • Molecular FormulaC20H30N2O7S2
  • Average mass474.591 Da
  • Monoisotopic mass474.149445 Da
  • ChemSpider ID23399789

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Piperidinecarboxylic acid, 4-[[(3S,4R)-tetrahydro-4-[(4-methoxy-3-methylphenyl)sulfonyl]-1,1-dioxido-3-thienyl]amino]-, ethyl ester [ACD/Index Name]
4-({(3S,4R)-4-[(4-Méthoxy-3-méthylphényl)sulfonyl]-1,1-dioxydotétrahydro-3-thiophényl}amino)-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-({(3S,4R)-4-[(4-methoxy-3-methylphenyl)sulfonyl]-1,1-dioxidotetrahydro-3-thiophenyl}amino)-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl 4-({(3S,4R)-4-[(4-methoxy-3-methylphenyl)sulfonyl]-1,1-dioxidotetrahydrothiophen-3-yl}amino)piperidine-1-carboxylate
Ethyl-4-({(3S,4R)-4-[(4-methoxy-3-methylphenyl)sulfonyl]-1,1-dioxidotetrahydro-3-thiophenyl}amino)-1-piperidincarboxylat [German] [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: 709.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 382.7±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 116.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.09
ACD/KOC (pH 5.5): 76.89
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.25
ACD/KOC (pH 7.4): 80.88
Polar Surface Area: 136 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 343.9±5.0 cm3

Click to predict properties on the Chemicalize site


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