ChemSpider 2D Image | (2E)-N-(6-{3-[(3-Formamidopropyl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-3-(2-nitrophenyl)acrylamide | C19H21N7O6

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

  • Molecular FormulaC19H21N7O6
  • Average mass443.413 Da
  • Monoisotopic mass443.155334 Da
  • ChemSpider ID66843092

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-(6-{3-[(3-Formamidopropyl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-3-(2-nitrophenyl)acrylamid [German] [ACD/IUPAC Name]
(2E)-N-(6-{3-[(3-Formamidopropyl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-3-(2-nitrophenyl)acrylamide [ACD/IUPAC Name]
(2E)-N-(6-{3-[(3-Formamidopropyl)amino]-3-oxopropyl}-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-3-(2-nitrophényl)acrylamide [French] [ACD/IUPAC Name]
1,2,4-Triazine-6-propanamide, N-[3-(formylamino)propyl]-4,5-dihydro-3-[[(2E)-3-(2-nitrophenyl)-1-oxo-2-propen-1-yl]amino]-5-oxo- [ACD/Index 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: 1.662
Molar Refractivity: 112.4±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: -1.45
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.07
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.77
Polar Surface Area: 187 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 303.9±7.0 cm3

Click to predict properties on the Chemicalize site


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