ChemSpider 2D Image | (2R)-4-(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)-N~2~-{2-[1-(4-cyanobenzyl)-1H-imidazol-5-yl]ethyl}-N~1~-cyclohexyl-1,2-piperazinedicarboxamide | C33H43N7O2

(2R)-4-(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)-N2-{2-[1-(4-cyanobenzyl)-1H-imidazol-5-yl]ethyl}-N1-cyclohexyl-1,2-piperazinedicarboxamide

  • Molecular FormulaC33H43N7O2
  • Average mass569.740 Da
  • Monoisotopic mass569.347839 Da
  • ChemSpider ID7983880

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(2R)-4-(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)-N2-{2-[1-(4-cyanbenzyl)-1H-imidazol-5-yl]ethyl}-N1-cyclohexyl-1,2-piperazindicarboxamid [German] [ACD/IUPAC Name]
(2R)-4-(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)-N2-{2-[1-(4-cyanobenzyl)-1H-imidazol-5-yl]ethyl}-N1-cyclohexyl-1,2-piperazinedicarboxamide [ACD/IUPAC Name]
(2R)-4-(Bicyclo[2.2.1]hept-5-én-2-ylméthyl)-N2-{2-[1-(4-cyanobenzyl)-1H-imidazol-5-yl]éthyl}-N1-cyclohexyl-1,2-pipérazinedicarboxamide [French] [ACD/IUPAC Name]
1,2-Piperazinedicarboxamide, 4-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-N2-[2-[1-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]ethyl]-N1-cyclohexyl-, (2R)- [ACD/Index 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: 873.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 126.9±3.0 kJ/mol
Flash Point: 481.9±34.3 °C
Index of Refraction: 1.689
Molar Refractivity: 164.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.57
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 130.46
ACD/KOC (pH 7.4): 1019.31
Polar Surface Area: 106 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 429.6±7.0 cm3

Click to predict properties on the Chemicalize site


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