ChemSpider 2D Image | (3E)-4-{[(2S)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}-3-{6-[4-(2-methoxyethyl)-1-piperazinyl]-4-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene}-2(3H)-pyridinone | C28H33ClN6O3

(3E)-4-{[(2S)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}-3-{6-[4-(2-methoxyethyl)-1-piperazinyl]-4-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene}-2(3H)-pyridinone

  • Molecular FormulaC28H33ClN6O3
  • Average mass537.053 Da
  • Monoisotopic mass536.230286 Da
  • ChemSpider ID8524214

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3E)-4-{[(2S)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}-3-{6-[4-(2-methoxyethyl)-1-piperazinyl]-4-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene}-2(3H)-pyridinone [ACD/IUPAC Name]
(3E)-4-{[(2S)-2-(3-Chlorophényl)-2-hydroxyéthyl]amino}-3-{6-[4-(2-méthoxyéthyl)-1-pipérazinyl]-4-méthyl-1,3-dihydro-2H-benzimidazol-2-ylidène}-2(3H)-pyridinone [French] [ACD/IUPAC Name]
(3E)-4-{[(2S)-2-(3-Chlorphenyl)-2-hydroxyethyl]amino}-3-{6-[4-(2-methoxyethyl)-1-piperazinyl]-4-methyl-1,3-dihydro-2H-benzimidazol-2-yliden}-2(3H)-pyridinon [German] [ACD/IUPAC Name]
2(3H)-Pyridinone, 4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[1,3-dihydro-6-[4-(2-methoxyethyl)-1-piperazinyl]-4-methyl-2H-benzimidazol-2-ylidene]-, (3E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 629.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 334.5±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 146.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 6.55
ACD/KOC (pH 5.5): 86.47
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.09
ACD/KOC (pH 7.4): 384.10
Polar Surface Area: 101 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 389.1±7.0 cm3

Click to predict properties on the Chemicalize site


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