ChemSpider 2D Image | 3-Amino-N-benzyl-N-{2-oxo-2-[7-(2-sulfamoylphenyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethyl}-1H-indazole-6-carboxamide | C31H28N6O5S

3-Amino-N-benzyl-N-{2-oxo-2-[7-(2-sulfamoylphenyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethyl}-1H-indazole-6-carboxamide

  • Molecular FormulaC31H28N6O5S
  • Average mass596.656 Da
  • Monoisotopic mass596.184204 Da
  • ChemSpider ID8005830

More details:

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

1H-Indazole-6-carboxamide, 3-amino-N-[2-[7-[2-(aminosulfonyl)phenyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-2-oxoethyl]-N-(phenylmethyl)- [ACD/Index Name]
3-Amino-N-benzyl-N-{2-oxo-2-[7-(2-sulfamoylphenyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethyl}-1H-indazol-6-carboxamid [German] [ACD/IUPAC Name]
3-Amino-N-benzyl-N-{2-oxo-2-[7-(2-sulfamoylphenyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethyl}-1H-indazole-6-carboxamide [ACD/IUPAC Name]
3-Amino-N-benzyl-N-{2-oxo-2-[7-(2-sulfamoylphényl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]éthyl}-1H-indazole-6-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1002.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.4±3.0 kJ/mol
Flash Point: 559.8±37.1 °C
Index of Refraction: 1.714
Molar Refractivity: 161.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.72
ACD/KOC (pH 5.5): 553.39
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.64
ACD/KOC (pH 7.4): 552.52
Polar Surface Area: 173 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 75.1±3.0 dyne/cm
Molar Volume: 412.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement