ChemSpider 2D Image | monepantel | C20H13F6N3O2S

monepantel

  • Molecular FormulaC20H13F6N3O2S
  • Average mass473.392 Da
  • Monoisotopic mass473.063263 Da
  • ChemSpider ID23315674

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-(-)-N-(2-cyano-1-(5-cyano-2-(trifluoromethyl)phenoxy)propan-2-yl)-4-(trifluoromethylthio)benzamide
887148-69-8 [RN]
Benzamide, N-[(1S)-1-cyano-2-[5-cyano-2-(trifluoromethyl)phenoxy]-1-methylethyl]-4-[(trifluoromethyl)thio]- [ACD/Index Name]
FXFFSR DVMX1&CN&1OR CCN FXFFF &&S Form [WLN]
monepantel [INN]
monepantel [Spanish] [INN]
monépantel [French] [INN]
monepantelum [Latin] [INN]
N-{(2S)-2-Cyan-1-[5-cyan-2-(trifluormethyl)phenoxy]-2-propanyl}-4-[(trifluormethyl)sulfanyl]benzamid [German] [ACD/IUPAC Name]
N-{(2S)-2-Cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy]-2-propanyl}-4-[(trifluoromethyl)sulfanyl]benzamide [ACD/IUPAC Name]
More...
  • Miscellaneous

    • Chemical Class:

      A carboxamide resulting from the formal condensation of the carboxy group of <ital>p</ital>-[(trifluoromethyl)sulfanyl]benzoic acid with the amino group of (2<stereo>S</stereo>)-2-amino-3-hydroxy-2-me thylpropanenitrile in which the hydroxy group has been converted to the corresponding 5-cyano-2-(trifluoromethyl)phenyl ether. A broad-spectrum nematicide, it is used to control gastrointestinal round worms in sheep and goats. ChEBI CHEBI:78621
      A secondary carboxamide resulting from the formal condensation of the carboxy group of p-[(trifluoromethyl)sulfanyl]benzoic acid with the amino group of (2S)-2-amino-3-hy; droxy-2-methylpropanenitrile in which the hydroxy group has been converted to the corresponding 5-cyano-2-(trifluoromethyl)phenyl ether. A broad-spectrum nematicide, it is used to control gastrointestinal roundworms in sheep and goats. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:78621

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

Density: 1.5±0.1 g/cm3
Boiling Point: 554.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 289.3±30.1 °C
Index of Refraction: 1.550
Molar Refractivity: 102.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4127.13
ACD/KOC (pH 5.5): 13479.43
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4119.22
ACD/KOC (pH 7.4): 13453.59
Polar Surface Area: 111 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 322.3±5.0 cm3

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