ChemSpider 2D Image | 1-{4-[(R)-Phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methanediamine | C24H20N4O2S

1-{4-[(R)-Phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methanediamine

  • Molecular FormulaC24H20N4O2S
  • Average mass428.506 Da
  • Monoisotopic mass428.130707 Da
  • ChemSpider ID25061081

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{4-[(R)-Phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methandiamin [German] [ACD/IUPAC Name]
1-{4-[(R)-Phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methanediamine [ACD/IUPAC Name]
1-{4-[(R)-Phényl(3-phényl-1,2,4-oxadiazol-5-yl)méthoxy]-1-benzothiophén-2-yl}méthanediamine [French] [ACD/IUPAC Name]
Methanediamine, 1-[4-[(R)-phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzo[b]thien-2-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 662.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 354.5±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 123.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.30
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 9.13
ACD/KOC (pH 7.4): 65.24
Polar Surface Area: 128 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 320.5±3.0 cm3

Click to predict properties on the Chemicalize site


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