ChemSpider 2D Image | N-{4-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2'-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-biphenylyl}-N,1-dimethyl-1H-pyrrole-2-carboxamide | C36H42N6O5S

N-{4-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2'-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-biphenylyl}-N,1-dimethyl-1H-pyrrole-2-carboxamide

  • Molecular FormulaC36H42N6O5S
  • Average mass670.821 Da
  • Monoisotopic mass670.293762 Da
  • ChemSpider ID8387393

More details:

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

1H-Pyrrole-2-carboxamide, N-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2'-[[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl][1,1'-biphenyl]-2-yl]-N,1-dimethyl- [ACD/Index Name]
N-{4-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2'-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-biphenylyl}-N,1-dimethyl-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
N-{4-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2'-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-biphenylyl}-N,1-dimethyl-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
N-{4-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-én-3-yl)méthyl]-2'-[(3,4-diméthyl-1,2-oxazol-5-yl)sulfamoyl]-2-biphénylyl}-N,1-diméthyl-1H-pyrrole-2-carboxamide [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: 847.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.1±3.0 kJ/mol
Flash Point: 466.2±37.1 °C
Index of Refraction: 1.655
Molar Refractivity: 186.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 284.46
ACD/KOC (pH 5.5): 1834.54
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 17.53
ACD/KOC (pH 7.4): 113.04
Polar Surface Area: 138 Å2
Polarizability: 74.0±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 508.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement