ChemSpider 2D Image | 2-Amino-5-(1-naphthylsulfanyl)-1,9-dihydro-4H-pyrimido[4,5-b]indol-4-one | C20H14N4OS

2-Amino-5-(1-naphthylsulfanyl)-1,9-dihydro-4H-pyrimido[4,5-b]indol-4-one

  • Molecular FormulaC20H14N4OS
  • Average mass358.416 Da
  • Monoisotopic mass358.088837 Da
  • ChemSpider ID31125973

More details:






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

2-Amino-5-(1-naphthylsulfanyl)-1,9-dihydro-4H-pyrimido[4,5-b]indol-4-on [German] [ACD/IUPAC Name]
2-Amino-5-(1-naphthylsulfanyl)-1,9-dihydro-4H-pyrimido[4,5-b]indol-4-one [ACD/IUPAC Name]
2-Amino-5-(1-naphtylsulfanyl)-1,9-dihydro-4H-pyrimido[4,5-b]indol-4-one [French] [ACD/IUPAC Name]
4H-Pyrimido[4,5-b]indol-4-one, 2-amino-3,9-dihydro-5-(1-naphthalenylthio)- [ACD/Index Name]
1UG

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: 1.816
Molar Refractivity: 101.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 261.51
ACD/KOC (pH 5.5): 1797.78
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 300.28
ACD/KOC (pH 7.4): 2064.30
Polar Surface Area: 109 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 68.2±7.0 dyne/cm
Molar Volume: 234.6±7.0 cm3

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