ChemSpider 2D Image | N~2~-(3,4-Dimethylphenyl)-N~2~-[(3aR,6aR)-5,5-dioxido-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-N-[2-(trifluoromethyl)phenyl]glycinamide | C22H22F3N3O3S2

N2-(3,4-Dimethylphenyl)-N2-[(3aR,6aR)-5,5-dioxido-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-N-[2-(trifluoromethyl)phenyl]glycinamide

  • Molecular FormulaC22H22F3N3O3S2
  • Average mass497.554 Da
  • Monoisotopic mass497.105469 Da
  • ChemSpider ID115288975

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acetamide, 2-[(3,4-dimethylphenyl)[(3aR,6aR)-3a,4,6,6a-tetrahydro-5,5-dioxidothieno[3,4-d]thiazol-2-yl]amino]-N-[2-(trifluoromethyl)phenyl]- [ACD/Index Name]
N2-(3,4-Dimethylphenyl)-N2-[(3aR,6aR)-5,5-dioxido-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-N-[2-(trifluormethyl)phenyl]glycinamid [German] [ACD/IUPAC Name]
N2-(3,4-Dimethylphenyl)-N2-[(3aR,6aR)-5,5-dioxido-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-N-[2-(trifluoromethyl)phenyl]glycinamide [ACD/IUPAC Name]
N2-(3,4-Diméthylphényl)-N2-[(3aR,6aR)-5,5-dioxydo-3a,4,6,6a-tétrahydrothiéno[3,4-d][1,3]thiazol-2-yl]-N-[2-(trifluorométhyl)phényl]glycinamide [French] [ACD/IUPAC Name]
2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3,4-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
REL-N2-(3,4-DIMETHYLPHENYL)-N2-[(3AR,6AR)-5,5-DIOXIDO-3A,4,6,6A-TETRAHYDROTHIENO[3,4-D][1,3]THIAZOL-2-YL]-N-[2-(TRIFLUOROMETHYL)PHENYL]GLYCINAMIDE

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.644
Molar Refractivity: 122.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 67.40
ACD/KOC (pH 5.5): 592.54
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 125.26
ACD/KOC (pH 7.4): 1101.19
Polar Surface Area: 113 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 337.0±7.0 cm3

Click to predict properties on the Chemicalize site


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