ChemSpider 2D Image | Methyl [4,6-difluoro-2-{[(1-isopropyl-1H-pyrazol-5-yl)carbonyl]imino}-1,3-benzothiazol-3(2H)-yl]acetate | C17H16F2N4O3S

Methyl [4,6-difluoro-2-{[(1-isopropyl-1H-pyrazol-5-yl)carbonyl]imino}-1,3-benzothiazol-3(2H)-yl]acetate

  • Molecular FormulaC17H16F2N4O3S
  • Average mass394.396 Da
  • Monoisotopic mass394.091125 Da
  • ChemSpider ID35310093

More details:

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

[4,6-Difluoro-2-{[(1-isopropyl-1H-pyrazol-5-yl)carbonyl]imino}-1,3-benzothiazol-3(2H)-yl]acétate de méthyle [French] [ACD/IUPAC Name]
3(2H)-Benzothiazoleacetic acid, 4,6-difluoro-2-[[[1-(1-methylethyl)-1H-pyrazol-5-yl]carbonyl]imino]-, methyl ester [ACD/Index Name]
Methyl [4,6-difluoro-2-{[(1-isopropyl-1H-pyrazol-5-yl)carbonyl]imino}-1,3-benzothiazol-3(2H)-yl]acetate [ACD/IUPAC Name]
Methyl-[4,6-difluor-2-{[(1-isopropyl-1H-pyrazol-5-yl)carbonyl]imino}-1,3-benzothiazol-3(2H)-yl]acetat [German] [ACD/IUPAC Name]
1203437-90-4 [RN]
methyl 2-[(2E)-4,6-difluoro-2-{[1-(propan-2-yl)-1H-pyrazole-5-carbonyl]imino}-2,3-dihydro-1,3-benzothiazol-3-yl]acetate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 517.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 266.6±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 97.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.93
ACD/KOC (pH 5.5): 612.30
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.93
ACD/KOC (pH 7.4): 612.30
Polar Surface Area: 102 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 270.4±7.0 cm3

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