ChemSpider 2D Image | N-(4-{[4-(Cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide | C28H34FN5O2

N-(4-{[4-(Cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide

  • Molecular FormulaC28H34FN5O2
  • Average mass491.600 Da
  • Monoisotopic mass491.269653 Da
  • ChemSpider ID23342870

More details:

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

Acetamide, N-[4-[[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl]phenyl]- [ACD/Index Name]
N-(4-{[4-(Cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide [ACD/IUPAC Name]
N-(4-{[4-(Cyclohexylamino)-1-(3-fluorophényl)-2-oxo-1,3,8-triazaspiro[4.5]déc-3-én-8-yl]méthyl}phényl)acétamide [French] [ACD/IUPAC Name]
N-(4-{[4-(Cyclohexylamino)-1-(3-fluorphenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamid [German] [ACD/IUPAC Name]
8-(4-Acetamidobenzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL495087/
Spiropiperidine Iminohydantoin, 16

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 137.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.12
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 36.17
ACD/KOC (pH 7.4): 254.04
Polar Surface Area: 77 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 377.9±7.0 cm3

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