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Search term: YTRXBOHGKIMQHE (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1-{1-[4-(1-Piperidinyl)phenyl]ethyl}-3-[3-(trifluoromethyl)phenyl]thiourea | C21H24F3N3S

1-{1-[4-(1-Piperidinyl)phenyl]ethyl}-3-[3-(trifluoromethyl)phenyl]thiourea

  • Molecular FormulaC21H24F3N3S
  • Average mass407.496 Da
  • Monoisotopic mass407.164307 Da
  • ChemSpider ID80918764

More details:






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

1-{1-[4-(1-Piperidinyl)phenyl]ethyl}-3-[3-(trifluormethyl)phenyl]thioharnstoff [German] [ACD/IUPAC Name]
1-{1-[4-(1-Piperidinyl)phenyl]ethyl}-3-[3-(trifluoromethyl)phenyl]thiourea [ACD/IUPAC Name]
1-{1-[4-(1-Pipéridinyl)phényl]éthyl}-3-[3-(trifluorométhyl)phényl]thiourée [French] [ACD/IUPAC Name]
Thiourea, N-[1-[4-(1-piperidinyl)phenyl]ethyl]-N'-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 500.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.4±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 110.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3525.31
ACD/KOC (pH 5.5): 10561.56
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5550.63
ACD/KOC (pH 7.4): 16629.26
Polar Surface Area: 59 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 322.9±3.0 cm3

Click to predict properties on the Chemicalize site






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