ChemSpider 2D Image | (2R)-1-(4-{4-[(Hexyloxy)carbonyl]phenyl}-1-piperazinyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-oxo-2-propanyl 4-(2-oxo-1,2,4,5-tetrahydro-3H-1,3-benzodiazepin-3-yl)-1-piperidinecarboxylate | C43H55N5O7

(2R)-1-(4-{4-[(Hexyloxy)carbonyl]phenyl}-1-piperazinyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-oxo-2-propanyl 4-(2-oxo-1,2,4,5-tetrahydro-3H-1,3-benzodiazepin-3-yl)-1-piperidinecarboxylate

  • Molecular FormulaC43H55N5O7
  • Average mass753.926 Da
  • Monoisotopic mass753.410156 Da
  • ChemSpider ID17270456

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-(4-{4-[(Hexyloxy)carbonyl]phenyl}-1-piperazinyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-oxo-2-propanyl 4-(2-oxo-1,2,4,5-tetrahydro-3H-1,3-benzodiazepin-3-yl)-1-piperidinecarboxylate [ACD/IUPAC Name]
(2R)-1-(4-{4-[(Hexyloxy)carbonyl]phenyl}-1-piperazinyl)-3-(4-hydroxy-3,5-dimethylphenyl)-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)-2-[4-[4-[(hexyloxy)carbonyl]phenyl]-1-piperazinyl]-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-oxoethyl ester [ACD/Index Name]
4-(2-Oxo-1,2,4,5-tétrahydro-3H-1,3-benzodiazépin-3-yl)-1-pipéridinecarboxylate de (2R)-1-(4-{4-[(hexyloxy)carbonyl]phényl}-1-pipérazinyl)-3-(4-hydroxy-3,5-diméthylphényl)-1-oxo-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 939.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.3±3.0 kJ/mol
Flash Point: 521.9±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 209.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 7.01
ACD/LogD (pH 5.5): 7.18
ACD/BCF (pH 5.5): 169614.73
ACD/KOC (pH 5.5): 192664.83
ACD/LogD (pH 7.4): 7.18
ACD/BCF (pH 7.4): 169514.20
ACD/KOC (pH 7.4): 192550.63
Polar Surface Area: 132 Å2
Polarizability: 82.9±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 614.3±3.0 cm3

Click to predict properties on the Chemicalize site


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