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Search term: 58196413 (Found by CSID)
ChemSpider 2D Image | (3S)-3-(4-Hydroxybenzyl)-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione | C17H16N2O3

(3S)-3-(4-Hydroxybenzyl)-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

  • Molecular FormulaC17H16N2O3
  • Average mass296.320 Da
  • Monoisotopic mass296.116089 Da
  • ChemSpider ID58196413

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(4-Hydroxybenzyl)-4-methyl-3,4-dihydro-1H-1,4-benzodiazepin-2,5-dion [German] [ACD/IUPAC Name]
(3S)-3-(4-Hydroxybenzyl)-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione [ACD/IUPAC Name]
(3S)-3-(4-Hydroxybenzyl)-4-méthyl-3,4-dihydro-1H-1,4-benzodiazépine-2,5-dione [French] [ACD/IUPAC Name]
1H-1,4-Benzodiazepine-2,5-dione, 3,4-dihydro-3-[(4-hydroxyphenyl)methyl]-4-methyl-, (3S)- [ACD/Index Name]
14-hydroxy-cyclopeptine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 576.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 302.4±27.3 °C
Index of Refraction: 1.623
Molar Refractivity: 81.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.74
ACD/KOC (pH 5.5): 238.76
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.69
ACD/KOC (pH 7.4): 238.02
Polar Surface Area: 70 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 230.8±3.0 cm3

Click to predict properties on the Chemicalize site


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