ChemSpider 2D Image | Propyl 1'-[(2R)-3-(4-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-2-({[4-(2-oxo-1,2,4,5-tetrahydro-3H-1,3-benzodiazepin-3-yl)-1-piperidinyl]carbonyl}oxy)propanoyl]-1,4'-bipiperidine-4-carboxylate | C40H52N6O8

Propyl 1'-[(2R)-3-(4-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-2-({[4-(2-oxo-1,2,4,5-tetrahydro-3H-1,3-benzodiazepin-3-yl)-1-piperidinyl]carbonyl}oxy)propanoyl]-1,4'-bipiperidine-4-carboxylate

  • Molecular FormulaC40H52N6O8
  • Average mass744.876 Da
  • Monoisotopic mass744.384644 Da
  • ChemSpider ID20566089

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1'-[(2R)-3-(4-Méthyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-2-({[4-(2-oxo-1,2,4,5-tétrahydro-3H-1,3-benzodiazépin-3-yl)-1-pipéridinyl]carbonyl}oxy)propanoyl]-1,4'-bipipéridine-4-carboxylate de propyle [French] [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 4-(1,2,4,5-tetrahydro-2-oxo-3H-1,3-benzodiazepin-3-yl)-, (1R)-1-[(2,3-dihydro-4-methyl-2-oxo-6-benzoxazolyl)methyl]-2-oxo-2-[4-(propoxycarbonyl)[1,4'-bipiperidin]-1'-yl]et hyl ester [ACD/Index Name]
Propyl 1'-[(2R)-3-(4-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-2-({[4-(2-oxo-1,2,4,5-tetrahydro-3H-1,3-benzodiazepin-3-yl)-1-piperidinyl]carbonyl}oxy)propanoyl]-1,4'-bipiperidine-4-carboxylate [ACD/IUPAC Name]
Propyl-1'-[(2R)-3-(4-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-2-({[4-(2-oxo-1,2,4,5-tetrahydro-3H-1,3-benzodiazepin-3-yl)-1-piperidinyl]carbonyl}oxy)propanoyl]-1,4'-bipiperidin-4-carboxylat [German] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 197.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 6.96
ACD/KOC (pH 5.5): 31.26
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 345.04
ACD/KOC (pH 7.4): 1548.94
Polar Surface Area: 150 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 578.4±3.0 cm3

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