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Search term: FMDKWGLYXQQPDB-UHFFFAOYAE (Found by InChIKey (full match))
ChemSpider 2D Image | 2-(4-Nitrophenyl)-2-oxoethyl 6-bromo-2-[4-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)phenyl]-4-quinolinecarboxylate | C35H24BrN3O7

2-(4-Nitrophenyl)-2-oxoethyl 6-bromo-2-[4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)phenyl]-4-quinolinecarboxylate

  • Molecular FormulaC35H24BrN3O7
  • Average mass678.485 Da
  • Monoisotopic mass677.079773 Da
  • ChemSpider ID3658659

More details:

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

2-(4-Nitrophenyl)-2-oxoethyl 6-bromo-2-[4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)phenyl]-4-quinolinecarboxylate [ACD/IUPAC Name]
2-(4-Nitrophenyl)-2-oxoethyl-6-brom-2-[4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)phenyl]-4-chinolincarboxylat [German] [ACD/IUPAC Name]
4-Quinolinecarboxylic acid, 6-bromo-2-[4-(3,3a,4,4a,5,5a,6,6a-octahydro-1,3-dioxo-4,6-ethenocycloprop[f]isoindol-2(1H)-yl)phenyl]-, 2-(4-nitrophenyl)-2-oxoethyl ester [ACD/Index Name]
6-Bromo-2-[4-(3,5-dioxo-4-azatétracyclo[5.3.2.02,6.08,10]dodéc-11-én-4-yl)phényl]-4-quinoléinecarboxylate de 2-(4-nitrophényl)-2-oxoéthyle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.711
Molar Refractivity: 168.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 6886.82
ACD/KOC (pH 5.5): 19446.26
ACD/LogD (pH 7.4): 5.35
ACD/BCF (pH 7.4): 6887.30
ACD/KOC (pH 7.4): 19447.62
Polar Surface Area: 139 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 68.4±3.0 dyne/cm
Molar Volume: 431.9±3.0 cm3

Click to predict properties on the Chemicalize site


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