ChemSpider 2D Image | (2-Amino-4-chlorophenyl)(4-{(2S)-4-[3-chloro-5-(1H-imidazol-2-yl)-2-pyridinyl]-2-ethyl-1-piperazinyl}-1-piperidinyl)methanone | C26H31Cl2N7O

(2-Amino-4-chlorophenyl)(4-{(2S)-4-[3-chloro-5-(1H-imidazol-2-yl)-2-pyridinyl]-2-ethyl-1-piperazinyl}-1-piperidinyl)methanone

  • Molecular FormulaC26H31Cl2N7O
  • Average mass528.477 Da
  • Monoisotopic mass527.196716 Da
  • ChemSpider ID10031558

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2-Amino-4-chlorophenyl)(4-{(2S)-4-[3-chloro-5-(1H-imidazol-2-yl)-2-pyridinyl]-2-ethyl-1-piperazinyl}-1-piperidinyl)methanone [ACD/IUPAC Name]
(2-Amino-4-chlorophényl)(4-{(2S)-4-[3-chloro-5-(1H-imidazol-2-yl)-2-pyridinyl]-2-éthyl-1-pipérazinyl}-1-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
(2-Amino-4-chlorphenyl)(4-{(2S)-4-[3-chlor-5-(1H-imidazol-2-yl)-2-pyridinyl]-2-ethyl-1-piperazinyl}-1-piperidinyl)methanon [German] [ACD/IUPAC Name]
Methanone, (2-amino-4-chlorophenyl)[4-[(2S)-4-[3-chloro-5-(1H-imidazol-2-yl)-2-pyridinyl]-2-ethyl-1-piperazinyl]-1-piperidinyl]- [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: 779.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 425.0±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 142.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 620.49
ACD/KOC (pH 5.5): 2886.32
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1176.29
ACD/KOC (pH 7.4): 5471.72
Polar Surface Area: 94 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 394.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement