ChemSpider 2D Image | (2R)-3-(4-Hydroxy-3,5-dimethylphenyl)-1-(4-methoxy-1,4'-bipiperidin-1'-yl)-1-oxo-2-propanyl 4-(2-oxo-1,2,4,5-tetrahydro-3H-1,3-benzodiazepin-3-yl)-1-piperidinecarboxylate | C37H51N5O6

(2R)-3-(4-Hydroxy-3,5-dimethylphenyl)-1-(4-methoxy-1,4'-bipiperidin-1'-yl)-1-oxo-2-propanyl 4-(2-oxo-1,2,4,5-tetrahydro-3H-1,3-benzodiazepin-3-yl)-1-piperidinecarboxylate

  • Molecular FormulaC37H51N5O6
  • Average mass661.831 Da
  • Monoisotopic mass661.383911 Da
  • ChemSpider ID17281319

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-(4-Hydroxy-3,5-dimethylphenyl)-1-(4-methoxy-1,4'-bipiperidin-1'-yl)-1-oxo-2-propanyl 4-(2-oxo-1,2,4,5-tetrahydro-3H-1,3-benzodiazepin-3-yl)-1-piperidinecarboxylate [ACD/IUPAC Name]
(2R)-3-(4-Hydroxy-3,5-dimethylphenyl)-1-(4-methoxy-1,4'-bipiperidin-1'-yl)-1-oxo-2-propanyl-4-(2-oxo-1,2,4,5-tetrahydro-3H-1,3-benzodiazepin-3-yl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 4-(1,2,4,5-tetrahydro-2-oxo-3H-1,3-benzodiazepin-3-yl)-, (1R)-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-(4-methoxy[1,4'-bipiperidin]-1'-yl)-2-oxoethyl ester [ACD/Index Name]
4-(2-Oxo-1,2,4,5-tétrahydro-3H-1,3-benzodiazépin-3-yl)-1-pipéridinecarboxylate de (2R)-3-(4-hydroxy-3,5-diméthylphényl)-1-(4-méthoxy-1,4'-bipipéridin-1'-yl)-1-oxo-2-propanyle [French] [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: 851.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.0±3.0 kJ/mol
Flash Point: 469.0±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 183.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 4.60
ACD/KOC (pH 5.5): 22.40
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 233.63
ACD/KOC (pH 7.4): 1137.28
Polar Surface Area: 115 Å2
Polarizability: 72.7±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 512.7±5.0 cm3

Click to predict properties on the Chemicalize site


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