ChemSpider 2D Image | 5-({2-[2-(1-Azepanylsulfonyl)-4-nitrophenyl]hydrazino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione | C17H20N6O7S

5-({2-[2-(1-Azepanylsulfonyl)-4-nitrophenyl]hydrazino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC17H20N6O7S
  • Average mass452.442 Da
  • Monoisotopic mass452.111420 Da
  • ChemSpider ID68705317

More details:

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

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[2-[2-[(hexahydro-1H-azepin-1-yl)sulfonyl]-4-nitrophenyl]hydrazinyl]methylene]- [ACD/Index Name]
5-({2-[2-(1-Azepanylsulfonyl)-4-nitrophenyl]hydrazino}methylen)-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
5-({2-[2-(1-Azepanylsulfonyl)-4-nitrophenyl]hydrazino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
5-({2-[2-(1-Azépanylsulfonyl)-4-nitrophényl]hydrazino}méthylène)-2,4,6(1H,3H,5H)-pyrimidinetrione [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: 1.670
Molar Refractivity: 107.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 8.97
ACD/KOC (pH 5.5): 164.47
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.65
ACD/KOC (pH 7.4): 30.32
Polar Surface Area: 191 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 81.1±3.0 dyne/cm
Molar Volume: 286.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement