Found 578 results

Search term: MF = 'C_{25}H_{27}NO_{3}S'
ChemSpider 2D Image | 5-(2,3-Dimethoxybenzyl)-2-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine | C25H27NO3S

5-(2,3-Dimethoxybenzyl)-2-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine

  • Molecular FormulaC25H27NO3S
  • Average mass421.552 Da
  • Monoisotopic mass421.171173 Da
  • ChemSpider ID22206847

More details:

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

1,5-Benzothiazepine, 5-[(2,3-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-2-(3-methoxyphenyl)- [ACD/Index Name]
5-(2,3-Dimethoxybenzyl)-2-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin [German] [ACD/IUPAC Name]
5-(2,3-Dimethoxybenzyl)-2-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine [ACD/IUPAC Name]
5-(2,3-Diméthoxybenzyl)-2-(3-méthoxyphényl)-2,3,4,5-tétrahydro-1,5-benzothiazépine [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: 568.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.6±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 123.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 8946.08
ACD/KOC (pH 5.5): 22431.86
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 10438.19
ACD/KOC (pH 7.4): 26173.28
Polar Surface Area: 56 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 359.0±3.0 cm3

Click to predict properties on the Chemicalize site


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