ChemSpider 2D Image | Methyl 3-(3-cyclohexylpropanoyl)-9-[(1-methyl-5-oxo-3-pyrrolidinyl)methoxy]-7-oxo-1,2,3,4,5,7-hexahydropyrido[1,2-d][1,4]diazepine-10-carboxylate | C26H37N3O6

Methyl 3-(3-cyclohexylpropanoyl)-9-[(1-methyl-5-oxo-3-pyrrolidinyl)methoxy]-7-oxo-1,2,3,4,5,7-hexahydropyrido[1,2-d][1,4]diazepine-10-carboxylate

  • Molecular FormulaC26H37N3O6
  • Average mass487.589 Da
  • Monoisotopic mass487.268250 Da
  • ChemSpider ID22223450

More details:

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

3-(3-Cyclohexylpropanoyl)-9-[(1-méthyl-5-oxo-3-pyrrolidinyl)méthoxy]-7-oxo-1,2,3,4,5,7-hexahydropyrido[1,2-d][1,4]diazépine-10-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(3-cyclohexylpropanoyl)-9-[(1-methyl-5-oxo-3-pyrrolidinyl)methoxy]-7-oxo-1,2,3,4,5,7-hexahydropyrido[1,2-d][1,4]diazepine-10-carboxylate [ACD/IUPAC Name]
Methyl-3-(3-cyclohexylpropanoyl)-9-[(1-methyl-5-oxo-3-pyrrolidinyl)methoxy]-7-oxo-1,2,3,4,5,7-hexahydropyrido[1,2-d][1,4]diazepin-10-carboxylat [German] [ACD/IUPAC Name]
Pyrido[1,2-d][1,4]diazepine-10-carboxylic acid, 3-(3-cyclohexyl-1-oxopropyl)-1,2,3,4,5,7-hexahydro-9-[(1-methyl-5-oxo-3-pyrrolidinyl)methoxy]-7-oxo-, methyl ester [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: 734.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 397.7±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.70
ACD/KOC (pH 5.5): 202.43
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.70
ACD/KOC (pH 7.4): 202.43
Polar Surface Area: 96 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 385.3±5.0 cm3

Click to predict properties on the Chemicalize site


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