ChemSpider 2D Image | AFDX-384 | C27H38N6O2

AFDX-384

  • Molecular FormulaC27H38N6O2
  • Average mass478.630 Da
  • Monoisotopic mass478.305634 Da
  • ChemSpider ID26233613
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

11H-Pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide, N-[2-[(2R)-2-[(dipropylamino)methyl]-1-piperidinyl]ethyl]-5,6-dihydro-6-oxo- [ACD/Index Name]
AFDX-384 [Wiki]
BIBN-161
N-(2-[(2R)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
N-(2-{(2R)-2-[(Dipropylamino)methyl]-1-piperidinyl}ethyl)-6-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,4]benzodiazepin-11-carboxamid [German] [ACD/IUPAC Name]
N-(2-{(2R)-2-[(Dipropylamino)methyl]-1-piperidinyl}ethyl)-6-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide [ACD/IUPAC Name]
N-(2-{(2R)-2-[(Dipropylamino)méthyl]-1-pipéridinyl}éthyl)-6-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,4]benzodiazépine-11-carboxamide [French] [ACD/IUPAC Name]
(R)-(-)-AF-DX 384
AF-DX 384
N-(2-{(2H)-2-[(dipropylamino)methyl]piperidin-1-yl}ethyl)-6-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
  • Miscellaneous
    • Chemical Class:

      A pyridobenzodiazepine that acts as a selective antagonist of the muscarinic acetylcholine receptors. ChEBI CHEBI:73338

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 618.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 327.8±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 137.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.26
Polar Surface Area: 81 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 418.1±3.0 cm3

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