Found 121 results

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

Benzyl 1-(4-methoxyphenyl)-3-oxo-1-(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 ID2761161

More details:

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

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 624.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.3±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: 5.51
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2542.17
ACD/KOC (pH 5.5): 9461.96
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 881.99
ACD/KOC (pH 7.4): 3282.76
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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