ChemSpider 2D Image | N,N'-(Phenylmethylene)bis{2-[(4-methyl-2-quinolinyl)sulfanyl]acetamide} | C31H28N4O2S2

N,N'-(Phenylmethylene)bis{2-[(4-methyl-2-quinolinyl)sulfanyl]acetamide}

  • Molecular FormulaC31H28N4O2S2
  • Average mass552.710 Da
  • Monoisotopic mass552.165344 Da
  • ChemSpider ID1305346

More details:

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

Acetamide, N,N'-(phenylmethylene)bis[2-[(4-methyl-2-quinolinyl)thio]- [ACD/Index Name]
N,N'-(Phenylmethylen)bis{2-[(4-methyl-2-chinolinyl)sulfanyl]acetamid} [German] [ACD/IUPAC Name]
N,N'-(Phénylméthylène)bis{2-[(4-méthyl-2-quinoléinyl)sulfanyl]acétamide} [French] [ACD/IUPAC Name]
N,N'-(Phenylmethylene)bis{2-[(4-methyl-2-quinolinyl)sulfanyl]acetamide} [ACD/IUPAC Name]
N,N'-(Phenylmethylene)bis{2-[(4-methylquinolin-2-yl)sulfanyl]acetamide}
2-(4-methyl(2-quinolylthio))-N-{[2-(4-methyl(2-quinolylthio))acetylamino]phenylmethyl}acetamide
2-(4-methylquinolin-2-yl)sulfanyl-N-[[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-phenylmethyl]acetamide
620155-94-4 [RN]
N,N'-(phenylmethylene)bis(2-((4-methylquinolin-2-yl)thio)acetamide)

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

ZINC01890163 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 854.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.2±3.0 kJ/mol
Flash Point: 470.6±34.3 °C
Index of Refraction: 1.723
Molar Refractivity: 162.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5189.71
ACD/KOC (pH 5.5): 15864.21
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5208.99
ACD/KOC (pH 7.4): 15923.18
Polar Surface Area: 135 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 411.2±5.0 cm3

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