ChemSpider 2D Image | Ethyl 2-ethyl-4-({[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetyl}amino)-1H-1,5-benzodiazepine-3-carboxylate | C27H32N4O7S

Ethyl 2-ethyl-4-({[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetyl}amino)-1H-1,5-benzodiazepine-3-carboxylate

  • Molecular FormulaC27H32N4O7S
  • Average mass556.631 Da
  • Monoisotopic mass556.199158 Da
  • ChemSpider ID2922283

More details:

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

1H-1,5-Benzodiazepine-3-carboxylic acid, 2-ethyl-4-[[2-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetyl]amino]-, ethyl ester [ACD/Index Name]
2-Éthyl-4-({2-[4-méthoxy-3-(4-morpholinylsulfonyl)phényl]acétyl}amino)-1H-1,5-benzodiazépine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-ethyl-4-({[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetyl}amino)-1H-1,5-benzodiazepine-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-ethyl-4-({[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetyl}amino)-1H-1,5-benzodiazepin-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 145.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.82
ACD/KOC (pH 5.5): 21.51
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 32.21
ACD/KOC (pH 7.4): 380.46
Polar Surface Area: 144 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 409.1±7.0 cm3

Click to predict properties on the Chemicalize site


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