Found 19 results

Search term: MF = 'C_{30}H_{25}NO_{2}S'
ChemSpider 2D Image | 9-Methoxy-6-(4-methoxyphenyl)-5-phenyl-5a,6-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepine | C30H25NO2S

9-Methoxy-6-(4-methoxyphenyl)-5-phenyl-5a,6-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepine

  • Molecular FormulaC30H25NO2S
  • Average mass463.590 Da
  • Monoisotopic mass463.160614 Da
  • ChemSpider ID28644855

More details:

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

5H-Benz[b]indeno[1,2-e][1,4]thiazepine, 5a,6-dihydro-9-methoxy-6-(4-methoxyphenyl)-5-phenyl- [ACD/Index Name]
9-Methoxy-6-(4-methoxyphenyl)-5-phenyl-5a,6-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin [German] [ACD/IUPAC Name]
9-Methoxy-6-(4-methoxyphenyl)-5-phenyl-5a,6-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepine [ACD/IUPAC Name]
9-Méthoxy-6-(4-méthoxyphényl)-5-phényl-5a,6-dihydro-5H-benzo[b]indéno[1,2-e][1,4]thiazépine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 326.8±31.5 °C
Index of Refraction: 1.663
Molar Refractivity: 138.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 6.82
ACD/BCF (pH 5.5): 88928.19
ACD/KOC (pH 5.5): 120688.27
ACD/LogD (pH 7.4): 6.83
ACD/BCF (pH 7.4): 90678.59
ACD/KOC (pH 7.4): 123063.80
Polar Surface Area: 56 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 374.4±7.0 cm3

Click to predict properties on the Chemicalize site


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