ChemSpider 2D Image | kottamide E | C16H14Br2N4O3S2

kottamide E

  • Molecular FormulaC16H14Br2N4O3S2
  • Average mass534.245 Da
  • Monoisotopic mass531.887390 Da
  • ChemSpider ID10190139

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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

Ethanediamide, N1-[4-(aminocarbonyl)-1,2-dithiolan-4-yl]-N2-[(Z)-2-(5,6-dibromo-1H-indol-3-yl)ethenyl]- [ACD/Index Name]
kottamide E
N-(4-Carbamoyl-1,2-dithiolan-4-yl)-N'-[(Z)-2-(5,6-dibrom-1H-indol-3-yl)vinyl]ethandiamid [German] [ACD/IUPAC Name]
N-(4-Carbamoyl-1,2-dithiolan-4-yl)-N'-[(Z)-2-(5,6-dibromo-1H-indol-3-yl)vinyl]ethanediamide [ACD/IUPAC Name]
N-(4-Carbamoyl-1,2-dithiolan-4-yl)-N'-[(Z)-2-(5,6-dibromo-1H-indol-3-yl)vinyl]éthanediamide [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.794
Molar Refractivity: 115.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.49
ACD/KOC (pH 5.5): 567.83
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 40.65
ACD/KOC (pH 7.4): 466.39
Polar Surface Area: 168 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 96.0±5.0 dyne/cm
Molar Volume: 272.7±5.0 cm3

Click to predict properties on the Chemicalize site


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