ChemSpider 2D Image | 4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2'-[(3,3-dimethyl-2-oxo-1-pyrrolidinyl)methyl]-2-biphenylsulfonamide | C36H45N5O5S

4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2'-[(3,3-dimethyl-2-oxo-1-pyrrolidinyl)methyl]-2-biphenylsulfonamide

  • Molecular FormulaC36H45N5O5S
  • Average mass659.838 Da
  • Monoisotopic mass659.314148 Da
  • ChemSpider ID8050149

More details:

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

[1,1'-Biphenyl]-2-sulfonamide, 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-N-(4,5-dimethyl-3-isoxazolyl)-2'-[(3,3-dimethyl-2-oxo-1-pyrrolidinyl)methyl]- [ACD/Index Name]
4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2'-[(3,3-dimethyl-2-oxo-1-pyrrolidinyl)methyl]-2-biphenylsulfonamid [German] [ACD/IUPAC Name]
4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2'-[(3,3-dimethyl-2-oxo-1-pyrrolidinyl)methyl]-2-biphenylsulfonamide [ACD/IUPAC Name]
4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-én-3-yl)méthyl]-N-(4,5-diméthyl-1,2-oxazol-3-yl)-2'-[(3,3-diméthyl-2-oxo-1-pyrrolidinyl)méthyl]-2-biphénylsulfonamide [French] [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: 835.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.4±3.0 kJ/mol
Flash Point: 459.2±37.1 °C
Index of Refraction: 1.649
Molar Refractivity: 183.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1725.37
ACD/KOC (pH 5.5): 7160.13
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 535.55
ACD/KOC (pH 7.4): 2222.49
Polar Surface Area: 134 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 503.1±7.0 cm3

Click to predict properties on the Chemicalize site


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