ChemSpider 2D Image | 1-[8-(2-Chloro-6-methoxyisonicotinoyl)-2,8-diazaspiro[4.5]dec-2-yl]-2-[3-(3-nitrophenyl)-1H-pyrazol-1-yl]ethanone | C26H27ClN6O5

1-[8-(2-Chloro-6-methoxyisonicotinoyl)-2,8-diazaspiro[4.5]dec-2-yl]-2-[3-(3-nitrophenyl)-1H-pyrazol-1-yl]ethanone

  • Molecular FormulaC26H27ClN6O5
  • Average mass538.983 Da
  • Monoisotopic mass538.173157 Da
  • ChemSpider ID4191206

More details:

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

1-[8-(2-Chlor-6-methoxyisonicotinoyl)-2,8-diazaspiro[4.5]dec-2-yl]-2-[3-(3-nitrophenyl)-1H-pyrazol-1-yl]ethanon [German] [ACD/IUPAC Name]
1-[8-(2-Chloro-6-methoxyisonicotinoyl)-2,8-diazaspiro[4.5]dec-2-yl]-2-[3-(3-nitrophenyl)-1H-pyrazol-1-yl]ethanone [ACD/IUPAC Name]
1-[8-(2-Chloro-6-méthoxyisonicotinoyl)-2,8-diazaspiro[4.5]déc-2-yl]-2-[3-(3-nitrophényl)-1H-pyrazol-1-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[8-[(2-chloro-6-methoxy-4-pyridinyl)carbonyl]-2,8-diazaspiro[4.5]dec-2-yl]-2-[3-(3-nitrophenyl)-1H-pyrazol-1-yl]- [ACD/Index 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: 782.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 427.0±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 141.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 228.86
ACD/KOC (pH 5.5): 1700.53
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 228.86
ACD/KOC (pH 7.4): 1700.55
Polar Surface Area: 126 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 62.1±7.0 dyne/cm
Molar Volume: 369.9±7.0 cm3

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