ChemSpider 2D Image | lotilaner | C20H14Cl3F6N3O3S

lotilaner

  • Molecular FormulaC20H14Cl3F6N3O3S
  • Average mass596.758 Da
  • Monoisotopic mass594.972534 Da
  • ChemSpider ID32699771

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-5-[5-(3,4,5-Trichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-3-methylthiophene-2-carboxylic acid [(2,2,2-trifluoroethyl carbamoyl) methyl] amide
1369852-71-0 [RN]
2-({3-methyl-5-[(5S)-5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]thiophen-2-yl}formamido)-N-(2,2,2-trifluoroethyl)acetamide
2-Thiophenecarboxamide, 5-[(5S)-4,5-dihydro-5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-3-isoxazolyl]-3-methyl-N-[2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl]- [ACD/Index Name]
3-Methyl-N-{2-oxo-2-[(2,2,2-trifluorethyl)amino]ethyl}-5-[(5S)-5-(3,4,5-trichlorphenyl)-5-(trifluormethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-thiophencarboxamid [German] [ACD/IUPAC Name]
3-Methyl-N-{2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl}-5-[(5S)-5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-thiophenecarboxamide [ACD/IUPAC Name]
3-Méthyl-N-{2-oxo-2-[(2,2,2-trifluoroéthyl)amino]éthyl}-5-[(5S)-5-(3,4,5-trichlorophényl)-5-(trifluorométhyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
HEH4938D7K
lotilaner [INN] [USAN]
lotilaner [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9867 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.593
Molar Refractivity: 121.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6540.25
ACD/KOC (pH 5.5): 18741.04
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6540.14
ACD/KOC (pH 7.4): 18740.73
Polar Surface Area: 108 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 44.4±7.0 dyne/cm
Molar Volume: 358.8±7.0 cm3

Click to predict properties on the Chemicalize site


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