ChemSpider 2D Image | neo-Dysidenine | C17H23Cl6N3O2S

neo-Dysidenine

  • Molecular FormulaC17H23Cl6N3O2S
  • Average mass546.166 Da
  • Monoisotopic mass542.964233 Da
  • ChemSpider ID10357374

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4S)-5,5,5-Trichlor-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-N2-[(3S)-4,4,4-trichlor-3-methylbutanoyl]-L-leucinamid [German] [ACD/IUPAC Name]
(4S)-5,5,5-Trichloro-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-N2-[(3S)-4,4,4-trichloro-3-methylbutanoyl]-L-leucinamide [ACD/IUPAC Name]
(4S)-5,5,5-Trichloro-N-méthyl-N-[(1R)-1-(1,3-thiazol-2-yl)éthyl]-N2-[(3S)-4,4,4-trichloro-3-méthylbutanoyl]-L-leucinamide [French] [ACD/IUPAC Name]
neo-Dysidenine
Pentanamide, 5,5,5-trichloro-N,4-dimethyl-N-[(1R)-1-(2-thiazolyl)ethyl]-2-[[(3S)-4,4,4-trichloro-3-methyl-1-oxobutyl]amino]-, (2S,4S)- [ACD/Index Name]
CHEMBL392270
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL392270/
neodysidenin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 627.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.4±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 124.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4943.01
ACD/KOC (pH 5.5): 15334.53
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4946.22
ACD/KOC (pH 7.4): 15344.50
Polar Surface Area: 91 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 383.6±3.0 cm3

Click to predict properties on the Chemicalize site


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