Found 83 results

Search term: MF = 'C_{35}H_{38}N_{2}O_{5}S'
ChemSpider 2D Image | Diphenylmethyl (4S,7S,12bR)-7-{[(2S)-2-(acetylsulfanyl)-3-methylbutanoyl]amino}-6-oxo-1,2,3,4,6,7,8,12b-octahydropyrido[2,1-a][2]benzazepine-4-carboxylate | C35H38N2O5S

Diphenylmethyl (4S,7S,12bR)-7-{[(2S)-2-(acetylsulfanyl)-3-methylbutanoyl]amino}-6-oxo-1,2,3,4,6,7,8,12b-octahydropyrido[2,1-a][2]benzazepine-4-carboxylate

  • Molecular FormulaC35H38N2O5S
  • Average mass598.752 Da
  • Monoisotopic mass598.250122 Da
  • ChemSpider ID9574136

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4S,7S,12bR)-7-{[(2S)-2-(Acétylsulfanyl)-3-méthylbutanoyl]amino}-6-oxo-1,2,3,4,6,7,8,12b-octahydropyrido[2,1-a][2]benzazépine-4-carboxylate de diphénylméthyle [French] [ACD/IUPAC Name]
Diphenylmethyl (4S,7S,12bR)-7-{[(2S)-2-(acetylsulfanyl)-3-methylbutanoyl]amino}-6-oxo-1,2,3,4,6,7,8,12b-octahydropyrido[2,1-a][2]benzazepine-4-carboxylate [ACD/IUPAC Name]
Diphenylmethyl-(4S,7S,12bR)-7-{[(2S)-2-(acetylsulfanyl)-3-methylbutanoyl]amino}-6-oxo-1,2,3,4,6,7,8,12b-octahydropyrido[2,1-a][2]benzazepin-4-carboxylat [German] [ACD/IUPAC Name]
Pyrido[2,1-a][2]benzazepine-4-carboxylic acid, 7-[[(2S)-2-(acetylthio)-3-methyl-1-oxobutyl]amino]-1,2,3,4,6,7,8,12b-octahydro-6-oxo-, diphenylmethyl ester, (4S,7S,12bR)- [ACD/Index 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: 771.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±3.0 kJ/mol
Flash Point: 420.6±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 168.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19453.15
ACD/KOC (pH 5.5): 40892.69
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19452.96
ACD/KOC (pH 7.4): 40892.29
Polar Surface Area: 118 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 471.4±5.0 cm3

Click to predict properties on the Chemicalize site


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