ChemSpider 2D Image | N,N-Dimethyl-N'-{9-[(4-nitrophenyl)sulfonyl]-6-oxo-6,9-dihydro-1H-purin-2-yl}imidoformamide | C14H13N7O5S

N,N-Dimethyl-N'-{9-[(4-nitrophenyl)sulfonyl]-6-oxo-6,9-dihydro-1H-purin-2-yl}imidoformamide

  • Molecular FormulaC14H13N7O5S
  • Average mass391.362 Da
  • Monoisotopic mass391.069885 Da
  • ChemSpider ID77723094
  • Double-bond stereo - Double-bond stereo


More details:






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

Methanimidamide, N'-[6,9-dihydro-9-[(4-nitrophenyl)sulfonyl]-6-oxo-1H-purin-2-yl]-N,N-dimethyl- [ACD/Index Name]
N,N-Dimethyl-N'-{9-[(4-nitrophenyl)sulfonyl]-6-oxo-6,9-dihydro-1H-purin-2-yl}imidoformamid [German] [ACD/IUPAC Name]
N,N-Dimethyl-N'-{9-[(4-nitrophenyl)sulfonyl]-6-oxo-6,9-dihydro-1H-purin-2-yl}imidoformamide [ACD/IUPAC Name]
N,N-Diméthyl-N'-{9-[(4-nitrophényl)sulfonyl]-6-oxo-6,9-dihydro-1H-purin-2-yl}imidoformamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.751
Molar Refractivity: 95.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.11
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.75
Polar Surface Area: 163 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 77.8±7.0 dyne/cm
Molar Volume: 234.0±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement