ChemSpider 2D Image | N-(6-{3-[(3-Formamidopropyl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-3-nitrobenzamide | C17H19N7O6

N-(6-{3-[(3-Formamidopropyl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-3-nitrobenzamide

  • Molecular FormulaC17H19N7O6
  • Average mass417.376 Da
  • Monoisotopic mass417.139679 Da
  • ChemSpider ID66807393

More details:

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

1,2,4-Triazine-6-propanamide, N-[3-(formylamino)propyl]-4,5-dihydro-3-[(3-nitrobenzoyl)amino]-5-oxo- [ACD/Index Name]
N-(6-{3-[(3-Formamidopropyl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-3-nitrobenzamid [German] [ACD/IUPAC Name]
N-(6-{3-[(3-Formamidopropyl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-3-nitrobenzamide [ACD/IUPAC Name]
N-(6-{3-[(3-Formamidopropyl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-3-nitrobenzamide [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: 1.684
Molar Refractivity: 103.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -2.07
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.82
ACD/LogD (pH 7.4): -1.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.37
Polar Surface Area: 187 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 70.6±7.0 dyne/cm
Molar Volume: 271.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement