Found 121 results

Search term: MF = 'C_{26}H_{19}F_{3}N_{2}O_{4}S'
ChemSpider 2D Image | Benzyl 3-(4-methoxyphenyl)-1-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrimido[6,1-b][1,3]benzothiazole-4-carboxylate | C26H19F3N2O4S

Benzyl 3-(4-methoxyphenyl)-1-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrimido[6,1-b][1,3]benzothiazole-4-carboxylate

  • Molecular FormulaC26H19F3N2O4S
  • Average mass512.500 Da
  • Monoisotopic mass512.101746 Da
  • ChemSpider ID28611150

More details:

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

1H-Pyrimido[6,1-b]benzothiazole-4-carboxylic acid, 2,3-dihydro-3-(4-methoxyphenyl)-1-oxo-3-(trifluoromethyl)-, phenylmethyl ester [ACD/Index Name]
3-(4-Méthoxyphényl)-1-oxo-3-(trifluorométhyl)-2,3-dihydro-1H-pyrimido[6,1-b][1,3]benzothiazole-4-carboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 3-(4-methoxyphenyl)-1-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrimido[6,1-b][1,3]benzothiazole-4-carboxylate [ACD/IUPAC Name]
Benzyl-3-(4-methoxyphenyl)-1-oxo-3-(trifluormethyl)-2,3-dihydro-1H-pyrimido[6,1-b][1,3]benzothiazol-4-carboxylat [German] [ACD/IUPAC Name]
2-(4-Methoxy-phenyl)-4-oxo-2-trifluoromethyl-3,4-dihydro-2H-9-thia-3,4a-diaza-fluorene-1-carboxylic acid benzyl ester

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

Density: 1.5±0.1 g/cm3
Boiling Point: 645.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.3±31.5 °C
Index of Refraction: 1.669
Molar Refractivity: 128.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 6.08
ACD/BCF (pH 5.5): 24404.79
ACD/KOC (pH 5.5): 47952.83
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 13332.29
ACD/KOC (pH 7.4): 26196.54
Polar Surface Area: 93 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 343.5±5.0 cm3

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