ChemSpider 2D Image | 5-Cyano-3-(difluoromethyl)-N-{4-fluoro-3-[(7R)-9-imino-2,7-dimethyl-5,5-dioxido-5-thia-2,8-diazaspiro[3.5]non-7-yl]phenyl}-2-pyridinecarboxamide | C22H21F3N6O3S

5-Cyano-3-(difluoromethyl)-N-{4-fluoro-3-[(7R)-9-imino-2,7-dimethyl-5,5-dioxido-5-thia-2,8-diazaspiro[3.5]non-7-yl]phenyl}-2-pyridinecarboxamide

  • Molecular FormulaC22H21F3N6O3S
  • Average mass506.501 Da
  • Monoisotopic mass506.134796 Da
  • ChemSpider ID76770750

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyridinecarboxamide, 5-cyano-3-(difluoromethyl)-N-[4-fluoro-3-[(7R)-9-imino-2,7-dimethyl-5,5-dioxido-5-thia-2,8-diazaspiro[3.5]non-7-yl]phenyl]- [ACD/Index Name]
5-Cyan-3-(difluormethyl)-N-{4-fluor-3-[(7R)-9-imino-2,7-dimethyl-5,5-dioxido-5-thia-2,8-diazaspiro[3.5]non-7-yl]phenyl}-2-pyridincarboxamid [German] [ACD/IUPAC Name]
5-Cyano-3-(difluoromethyl)-N-{4-fluoro-3-[(7R)-9-imino-2,7-dimethyl-5,5-dioxido-5-thia-2,8-diazaspiro[3.5]non-7-yl]phenyl}-2-pyridinecarboxamide [ACD/IUPAC Name]
5-Cyano-3-(difluorométhyl)-N-{4-fluoro-3-[(7R)-9-imino-2,7-diméthyl-5,5-dioxydo-5-thia-2,8-diazaspiro[3.5]non-7-yl]phényl}-2-pyridinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.669
Molar Refractivity: 121.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.78
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.75
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 46.52
Polar Surface Area: 147 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 326.0±7.0 cm3

Click to predict properties on the Chemicalize site


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