Found 3 results

Search term: BQSKTLCOJWIOED (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-[(11S)-11-Ethyl-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide | C29H34N4O2

2-[(11S)-11-Ethyl-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

  • Molecular FormulaC29H34N4O2
  • Average mass470.606 Da
  • Monoisotopic mass470.268188 Da
  • ChemSpider ID62536500

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

10H-Dibenzo[b,e][1,4]diazepine-10-acetamide, 11-ethyl-1,2,3,4,5,11-hexahydro-N-[2-(1H-indol-3-yl)ethyl]-3,3-dimethyl-1-oxo-, (11S)- [ACD/Index Name]
2-[(11S)-11-Ethyl-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamid [German] [ACD/IUPAC Name]
2-[(11S)-11-Ethyl-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide [ACD/IUPAC Name]
2-[(11S)-11-Éthyl-3,3-diméthyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazépin-10-yl]-N-[2-(1H-indol-3-yl)éthyl]acétamide [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: 729.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 395.1±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 139.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1361.31
ACD/KOC (pH 5.5): 6070.23
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1379.74
ACD/KOC (pH 7.4): 6152.39
Polar Surface Area: 77 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 378.2±5.0 cm3

Click to predict properties on the Chemicalize site


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