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-isopropoxyphenyl)sulfonyl]-1,1-dioxidotetrahydro-3-thiophenyl}-1-piperazinecarboxylate | C20H30N2O7S2

Ethyl 4-{(3S,4R)-4-[(4-isopropoxyphenyl)sulfonyl]-1,1-dioxidotetrahydro-3-thiophenyl}-1-piperazinecarboxylate

  • Molecular FormulaC20H30N2O7S2
  • Average mass474.591 Da
  • Monoisotopic mass474.149445 Da
  • ChemSpider ID23399712

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Piperazinecarboxylic acid, 4-[(3S,4R)-tetrahydro-4-[[4-(1-methylethoxy)phenyl]sulfonyl]-1,1-dioxido-3-thienyl]-, ethyl ester [ACD/Index Name]
4-{(3S,4R)-4-[(4-Isopropoxyphényl)sulfonyl]-1,1-dioxydotétrahydro-3-thiophényl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{(3S,4R)-4-[(4-isopropoxyphenyl)sulfonyl]-1,1-dioxidotetrahydro-3-thiophenyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl 4-{(3S,4R)-4-[(4-isopropoxyphenyl)sulfonyl]-1,1-dioxidotetrahydrothiophen-3-yl}piperazine-1-carboxylate
Ethyl-4-{(3S,4R)-4-[(4-isopropoxyphenyl)sulfonyl]-1,1-dioxidotetrahydro-3-thiophenyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 684.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.7±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 116.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.91
ACD/KOC (pH 5.5): 108.47
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.95
ACD/KOC (pH 7.4): 109.35
Polar Surface Area: 127 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 356.3±3.0 cm3

Click to predict properties on the Chemicalize site


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