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Search term: CRDLMFHMOZIJOB-LBPRGKRZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-Ethyl-6-{[(3S)-3-hydroxy-1-piperidinyl]sulfonyl}benzo[cd]indol-2(1H)-one | C18H20N2O4S

1-Ethyl-6-{[(3S)-3-hydroxy-1-piperidinyl]sulfonyl}benzo[cd]indol-2(1H)-one

  • Molecular FormulaC18H20N2O4S
  • Average mass360.427 Da
  • Monoisotopic mass360.114380 Da
  • ChemSpider ID90636551

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Ethyl-6-{[(3S)-3-hydroxy-1-piperidinyl]sulfonyl}benzo[cd]indol-2(1H)-on [German] [ACD/IUPAC Name]
1-Ethyl-6-{[(3S)-3-hydroxy-1-piperidinyl]sulfonyl}benzo[cd]indol-2(1H)-one [ACD/IUPAC Name]
1-Éthyl-6-{[(3S)-3-hydroxy-1-pipéridinyl]sulfonyl}benzo[cd]indol-2(1H)-one [French] [ACD/IUPAC Name]
Benz[cd]indol-2(1H)-one, 1-ethyl-6-[[(3S)-3-hydroxy-1-piperidinyl]sulfonyl]- [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: 618.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 328.0±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 95.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.65
ACD/KOC (pH 5.5): 104.57
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.65
ACD/KOC (pH 7.4): 104.57
Polar Surface Area: 86 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 65.9±3.0 dyne/cm
Molar Volume: 252.4±3.0 cm3

Click to predict properties on the Chemicalize site


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