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Search term: LBIMQKNDHURLPV-GFCCVEGCSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-Ethyl-6-{[(2R)-2-(hydroxymethyl)-1-pyrrolidinyl]sulfonyl}benzo[cd]indol-2(1H)-one | C18H20N2O4S

1-Ethyl-6-{[(2R)-2-(hydroxymethyl)-1-pyrrolidinyl]sulfonyl}benzo[cd]indol-2(1H)-one

  • Molecular FormulaC18H20N2O4S
  • Average mass360.427 Da
  • Monoisotopic mass360.114380 Da
  • ChemSpider ID90633197

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Ethyl-6-{[(2R)-2-(hydroxymethyl)-1-pyrrolidinyl]sulfonyl}benzo[cd]indol-2(1H)-on [German] [ACD/IUPAC Name]
1-Ethyl-6-{[(2R)-2-(hydroxymethyl)-1-pyrrolidinyl]sulfonyl}benzo[cd]indol-2(1H)-one [ACD/IUPAC Name]
1-Éthyl-6-{[(2R)-2-(hydroxyméthyl)-1-pyrrolidinyl]sulfonyl}benzo[cd]indol-2(1H)-one [French] [ACD/IUPAC Name]
Benz[cd]indol-2(1H)-one, 1-ethyl-6-[[(2R)-2-(hydroxymethyl)-1-pyrrolidinyl]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: 612.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 323.9±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 95.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.53
ACD/KOC (pH 5.5): 102.63
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.53
ACD/KOC (pH 7.4): 102.63
Polar Surface Area: 86 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 256.2±3.0 cm3

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