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Search term: SXXCTLCXNYGFRR-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-{5-[3-(Trifluoromethyl)benzyl]-4,5-dihydro-1'H,3H-spiro[1,5-benzoxazepine-2,4'-piperidin]-1'-yl}-1,3-thiazole-5-carbonitrile | C25H23F3N4OS

2-{5-[3-(Trifluoromethyl)benzyl]-4,5-dihydro-1'H,3H-spiro[1,5-benzoxazepine-2,4'-piperidin]-1'-yl}-1,3-thiazole-5-carbonitrile

  • Molecular FormulaC25H23F3N4OS
  • Average mass484.536 Da
  • Monoisotopic mass484.154480 Da
  • ChemSpider ID29398440

More details:

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

2-{5-[3-(Trifluormethyl)benzyl]-4,5-dihydro-1'H,3H-spiro[1,5-benzoxazepine-2,4'-piperidin]-1'-yl}-1,3-thiazol-5-carbonitril [German] [ACD/IUPAC Name]
2-{5-[3-(Trifluoromethyl)benzyl]-4,5-dihydro-1'H,3H-spiro[1,5-benzoxazepine-2,4'-piperidin]-1'-yl}-1,3-thiazole-5-carbonitrile [ACD/IUPAC Name]
2-{5-[3-(Trifluorométhyl)benzyl]-4,5-dihydro-1'H,3H-spiro[1,5-benzoxazepine-2,4'-piperidin]-1'-yl}-1,3-thiazole-5-carbonitrile [French] [ACD/IUPAC Name]
5-Thiazolecarbonitrile, 2-[4,5-dihydro-5-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,5-benzoxazepine-2(3H),4'-piperidin]-1'-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 620.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.2±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 124.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 276.70
ACD/KOC (pH 5.5): 1229.48
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1328.97
ACD/KOC (pH 7.4): 5905.01
Polar Surface Area: 81 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 344.5±5.0 cm3

Click to predict properties on the Chemicalize site


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