ChemSpider 2D Image | (2r,4s,5s)-5-Amino-6-[4-(2-Chlorophenyl)-2,2-Dimethyl-5-Oxopiperazin-1-Yl]-2-Ethyl-4-Hydroxy-N-[(1r,2s,3s,5s,7s)-5-Hydroxytricyclo[3.3.1.1~3,7~]dec-2-Yl]hexanamide | C30H45ClN4O4

(2r,4s,5s)-5-Amino-6-[4-(2-Chlorophenyl)-2,2-Dimethyl-5-Oxopiperazin-1-Yl]-2-Ethyl-4-Hydroxy-N-[(1r,2s,3s,5s,7s)-5-Hydroxytricyclo[3.3.1.13,7]dec-2-Yl]hexanamide

  • Molecular FormulaC30H45ClN4O4
  • Average mass561.156 Da
  • Monoisotopic mass560.312927 Da
  • ChemSpider ID35036033

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,4S,5S)-5-Amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]-2-ethyl-4-hydroxy-N-[(1R,2s,3S,5S,7S)-5-hydroxyadamantan-2-yl]hexanamide (non-preferred name) [ACD/IUPAC Name]
(2R,4S,5S)-5-Amino-6-[4-(2-chlorophényl)-2,2-diméthyl-5-oxo-1-pipérazinyl]-2-éthyl-4-hydroxy-N-[(1R,2s,3S,5S,7S)-5-hydroxyadamantan-2-yl]hexanamide (non-preferred name) [French] [ACD/IUPAC Name]
(2r,4s,5s)-5-Amino-6-[4-(2-Chlorophenyl)-2,2-Dimethyl-5-Oxopiperazin-1-Yl]-2-Ethyl-4-Hydroxy-N-[(1r,2s,3s,5s,7s)-5-Hydroxytricyclo[3.3.1.13,7]dec-2-Yl]hexanamide
(2R,4S,5S)-5-Amino-6-[4-(2-chlorphenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]-2-ethyl-4-hydroxy-N-[(1R,2s,3S,5S,7S)-5-hydroxyadamantan-2-yl]hexanamid (non-preferred name) [German] [ACD/IUPAC Name]
HHE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 802.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 438.8±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 152.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.96
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 1.37
ACD/KOC (pH 7.4): 14.57
Polar Surface Area: 119 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 433.4±5.0 cm3

Click to predict properties on the Chemicalize site


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