ChemSpider 2D Image | 3,4-Dichloro-N-[6-(3-{[3-(dimethylamino)phenyl]amino}-3-oxopropyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]benzamide | C21H20Cl2N6O3

3,4-Dichloro-N-[6-(3-{[3-(dimethylamino)phenyl]amino}-3-oxopropyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]benzamide

  • Molecular FormulaC21H20Cl2N6O3
  • Average mass475.328 Da
  • Monoisotopic mass474.097382 Da
  • ChemSpider ID66842566

More details:

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

1,2,4-Triazine-6-propanamide, 3-[(3,4-dichlorobenzoyl)amino]-N-[3-(dimethylamino)phenyl]-4,5-dihydro-5-oxo- [ACD/Index Name]
3,4-Dichlor-N-[6-(3-{[3-(dimethylamino)phenyl]amino}-3-oxopropyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]benzamid [German] [ACD/IUPAC Name]
3,4-Dichloro-N-[6-(3-{[3-(dimethylamino)phenyl]amino}-3-oxopropyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]benzamide [ACD/IUPAC Name]
3,4-Dichloro-N-[6-(3-{[3-(diméthylamino)phényl]amino}-3-oxopropyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]benzamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.669
Molar Refractivity: 122.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 73.14
ACD/KOC (pH 5.5): 713.79
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 14.88
ACD/KOC (pH 7.4): 145.18
Polar Surface Area: 115 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 327.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement