ChemSpider 2D Image | N-(6-{3-[(3-Hydroxypropyl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-4-nitrobenzamide | C16H18N6O6

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

  • Molecular FormulaC16H18N6O6
  • Average mass390.351 Da
  • Monoisotopic mass390.128784 Da
  • ChemSpider ID66807538

More details:

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

1,2,4-Triazine-6-propanamide, 4,5-dihydro-N-(3-hydroxypropyl)-3-[(4-nitrobenzoyl)amino]-5-oxo- [ACD/Index Name]
N-(6-{3-[(3-Hydroxypropyl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-4-nitrobenzamid [German] [ACD/IUPAC Name]
N-(6-{3-[(3-Hydroxypropyl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-4-nitrobenzamide [ACD/IUPAC Name]
N-(6-{3-[(3-Hydroxypropyl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-4-nitrobenzamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 95.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -2.00
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.64
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.14
Polar Surface Area: 178 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 71.3±7.0 dyne/cm
Molar Volume: 251.1±7.0 cm3

Click to predict properties on the Chemicalize site


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