ChemSpider 2D Image | LLP-3 | C32H23ClN2O4

LLP-3

  • Molecular FormulaC32H23ClN2O4
  • Average mass534.989 Da
  • Monoisotopic mass534.134644 Da
  • ChemSpider ID30836406

More details:






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

3-Pyridinecarbonitrile, 4-[3,5-bis(phenylmethoxy)phenyl]-6-(5-chloro-2-hydroxyphenyl)-1,2-dihydro-2-oxo- [ACD/Index Name]
4-[3,5-Bis(benzyloxy)phenyl]-6-(5-chlor-2-hydroxyphenyl)-2-oxo-1,2-dihydro-3-pyridincarbonitril [German] [ACD/IUPAC Name]
4-[3,5-Bis(benzyloxy)phenyl]-6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile [ACD/IUPAC Name]
4-[3,5-Bis(benzyloxy)phényl]-6-(5-chloro-2-hydroxyphényl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile [French] [ACD/IUPAC Name]
LLP-3
1453835-43-2 [RN]
4-​[3,​5-​bis(phenylmethoxy)​phenyl]​-​6-​(5-​chloro-​2-​hydroxyphenyl)​-​1,​2-​dihydro-​2-​oxo-3-​pyridinecarbonitrile​
4-?[3,?5-?bis(phenylmethoxy)?phenyl]?-?6-?(5-?chloro-?2-?hydroxyphenyl)?-?1,?2-?dihydro-?2-?oxo-3-?pyridinecarbonitrile?
4-[3,5-bis(benzyloxy)phenyl]-6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
4-​[3,​5-​bis(phenylmethoxy)​phenyl]​-​6-​(5-​chloro-​2-​hydroxyphenyl)​-​1,​2-​dihydro-​2-​oxo-3-​pyridinecarbonitrile​
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  • Miscellaneous
    • Chemical Class:

      A pyridone that is pyridin-2(1<element>H</element>)-one which is substituted at positions 3, 4, and 6 by cyano, 3,5-bis(benzyloxy)phenyl, and 5-chloro-2-hydroxyphenyl groups, respectively. It is an in hibitor for Survivin-Ran protein complex. ChEBI CHEBI:78766
      A pyridone that is pyridin-2(1H)-one which is substituted at positions 3, 4, and 6 by cyano, 3,5-bis(benzyloxy)phenyl, and 5-chloro-2-hydroxyphenyl groups, respectively. It is an in; hibitor for Survi vin-Ran protein complex. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:78766

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 787.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 429.8±32.9 °C
Index of Refraction: 1.704
Molar Refractivity: 148.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.62
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 51450.66
ACD/KOC (pH 5.5): 79910.81
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 6932.66
ACD/KOC (pH 7.4): 10767.49
Polar Surface Area: 92 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 71.4±5.0 dyne/cm
Molar Volume: 382.7±5.0 cm3

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