ChemSpider 2D Image | PD-404182 | C11H11N3S

PD-404182

  • Molecular FormulaC11H11N3S
  • Average mass217.290 Da
  • Monoisotopic mass217.067368 Da
  • ChemSpider ID21171576

More details:

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

2H,6H-Pyrimido[1,2-c][1,3]benzothiazin-6-imine, 3,4-dihydro- [ACD/Index Name]
3,4-Dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imin [German] [ACD/IUPAC Name]
3,4-Dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine [ACD/IUPAC Name]
3,4-Dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine [French] [ACD/IUPAC Name]
3PYK7K517E
6H-6-Imino-(2,3,4,5-tetrahydropyrimido)[1,2-c]-[1,3]benzothiazine
72596-74-8 [RN]
MFCD03788000
PD 404,182
PD-404182
More...

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

CCRIS 4693 [DBID]
P2742_SIGMA [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      Biochemistry EU-OpenScreen [P 2742]

    • Bio Activity:

      Enzymes Tocris Bioscience 5124
      High affinity inhibitor of KDO 8-P synthase (Ki = 26 nM). Also inhibits dimethylarginine dimethylaminohydrolase 1 (DDAH1). Exhibits antiangiogenic and antiviral activity in vitro. Putative antibiotic against gram-negative bacteria. Tocris Bioscience 5124
      High affinity inhibitor of KDO 8-P synthase (Ki = 26 nM). Also inhibits dimethylarginine dimethylaminohydrolase 1 (DDAH1). Exhibits antiangiogenic and antiviral activity in vitro. Putative antibiotic against gram-negative bacteria. Tocris Bioscience 5124
      High affinity inhibitor of KDO 8-P synthase; also DDAH1 inhibitor Tocris Bioscience 5124
      Other Synthases/Synthetases Tocris Bioscience 5124
      Synthases/Synthetases Tocris Bioscience 5124

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

Density: 1.4±0.1 g/cm3
Boiling Point: 366.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.3±3.0 kJ/mol
Flash Point: 175.6±23.2 °C
Index of Refraction: 1.764
Molar Refractivity: 62.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.44
ACD/KOC (pH 5.5): 26.45
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.76
ACD/KOC (pH 7.4): 161.23
Polar Surface Area: 65 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 63.0±7.0 dyne/cm
Molar Volume: 150.9±7.0 cm3

Click to predict properties on the Chemicalize site


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