ChemSpider 2D Image | 3-Cyano-N-{4-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-1-azetidinyl]-2-(4-fluorophenyl)butyl}-N-methyl-5,6,7,8-tetrahydro-1-naphthalenecarboxamide | C33H41FN4O3

3-Cyano-N-{4-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-1-azetidinyl]-2-(4-fluorophenyl)butyl}-N-methyl-5,6,7,8-tetrahydro-1-naphthalenecarboxamide

  • Molecular FormulaC33H41FN4O3
  • Average mass560.702 Da
  • Monoisotopic mass560.316284 Da
  • ChemSpider ID9470937

More details:

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

1-Naphthalenecarboxamide, 3-cyano-N-[4-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-1-azetidinyl]-2-(4-fluorophenyl)butyl]-5,6,7,8-tetrahydro-N-methyl- [ACD/Index Name]
3-Cyan-N-{4-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-1-azetidinyl]-2-(4-fluorphenyl)butyl}-N-methyl-5,6,7,8-tetrahydro-1-naphthalincarboxamid [German] [ACD/IUPAC Name]
3-Cyano-N-{4-[3-(1,4-dioxa-8-azaspiro[4.5]déc-8-yl)-1-azétidinyl]-2-(4-fluorophényl)butyl}-N-méthyl-5,6,7,8-tétrahydro-1-naphtalènecarboxamide [French] [ACD/IUPAC Name]
3-Cyano-N-{4-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-1-azetidinyl]-2-(4-fluorophenyl)butyl}-N-methyl-5,6,7,8-tetrahydro-1-naphthalenecarboxamide [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 740.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.7±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 155.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.79
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 6.98
ACD/KOC (pH 5.5): 17.73
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 62.60
ACD/KOC (pH 7.4): 159.10
Polar Surface Area: 69 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 441.8±5.0 cm3

Click to predict properties on the Chemicalize site


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