Found 54 results

Search term: MF = 'C_{28}H_{28}Cl_{2}N_{4}O_{4}S'
ChemSpider 2D Image | 1-[4-(6-{[(2R)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}-1-benzothiophen-3-yl)-1-piperazinyl]ethanone | C28H28Cl2N4O4S

1-[4-(6-{[(2R)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}-1-benzothiophen-3-yl)-1-piperazinyl]ethanone

  • Molecular FormulaC28H28Cl2N4O4S
  • Average mass587.517 Da
  • Monoisotopic mass586.120850 Da
  • ChemSpider ID8636406

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-[4-(6-{[(2R)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}-1-benzothiophen-3-yl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
1-[4-(6-{[(2R)-2-(2,4-Dichlorophényl)-2-(1H-imidazol-1-ylméthyl)-1,3-dioxolan-4-yl]méthoxy}-1-benzothiophén-3-yl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
1-[4-(6-{[(2R)-2-(2,4-Dichlorphenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}-1-benzothiophen-3-yl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[4-[6-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]benzo[b]thien-3-yl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 805.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 440.8±34.3 °C
Index of Refraction: 1.688
Molar Refractivity: 153.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 175.08
ACD/KOC (pH 5.5): 560.21
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3399.70
ACD/KOC (pH 7.4): 10878.06
Polar Surface Area: 97 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 403.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement