ChemSpider 2D Image | 3-Amino-6-chloro-5-{(3R)-4-[1-(4-chlorobenzyl)-4-piperidinyl]-3-ethyl-1-piperazinyl}-2-pyrazinecarboxamide | C23H31Cl2N7O

3-Amino-6-chloro-5-{(3R)-4-[1-(4-chlorobenzyl)-4-piperidinyl]-3-ethyl-1-piperazinyl}-2-pyrazinecarboxamide

  • Molecular FormulaC23H31Cl2N7O
  • Average mass492.444 Da
  • Monoisotopic mass491.196716 Da
  • ChemSpider ID78270971

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyrazinecarboxamide, 3-amino-6-chloro-5-[(3R)-4-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-3-ethyl-1-piperazinyl]- [ACD/Index Name]
3-Amino-6-chlor-5-{(3R)-4-[1-(4-chlorbenzyl)-4-piperidinyl]-3-ethyl-1-piperazinyl}-2-pyrazincarboxamid [German] [ACD/IUPAC Name]
3-Amino-6-chloro-5-{(3R)-4-[1-(4-chlorobenzyl)-4-piperidinyl]-3-ethyl-1-piperazinyl}-2-pyrazinecarboxamide [ACD/IUPAC Name]
3-Amino-6-chloro-5-{(3R)-4-[1-(4-chlorobenzyl)-4-pipéridinyl]-3-éthyl-1-pipérazinyl}-2-pyrazinecarboxamide [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: 628.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 333.7±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 132.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 1.55
ACD/KOC (pH 5.5): 7.65
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 138.02
ACD/KOC (pH 7.4): 682.30
Polar Surface Area: 105 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 371.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement