ChemSpider 2D Image | Methyl 4-[3-(3,4-dimethoxyphenyl)-1-hydroxy-10-(2-thienylcarbonyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate | C34H30N2O6S

Methyl 4-[3-(3,4-dimethoxyphenyl)-1-hydroxy-10-(2-thienylcarbonyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate

  • Molecular FormulaC34H30N2O6S
  • Average mass594.677 Da
  • Monoisotopic mass594.182434 Da
  • ChemSpider ID34975090

More details:

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

4-[3-(3,4-Diméthoxyphényl)-1-hydroxy-10-(2-thiénylcarbonyl)-3,4,10,11-tétrahydro-2H-dibenzo[b,e][1,4]diazépin-11-yl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[3-(3,4-dimethoxyphenyl)-3,4,10,11-tetrahydro-1-hydroxy-10-(2-thienylcarbonyl)-2H-dibenzo[b,e][1,4]diazepin-11-yl]-, methyl ester [ACD/Index Name]
Methyl 4-[3-(3,4-dimethoxyphenyl)-1-hydroxy-10-(2-thienylcarbonyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate [ACD/IUPAC Name]
Methyl-4-[3-(3,4-dimethoxyphenyl)-1-hydroxy-10-(2-thienylcarbonyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoat [German] [ACD/IUPAC 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: 747.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 405.6±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 164.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8427.65
ACD/KOC (pH 5.5): 22442.70
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8307.65
ACD/KOC (pH 7.4): 22123.11
Polar Surface Area: 126 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 446.5±7.0 cm3

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