Found 42 results

Search term: MF = 'C_{30}H_{32}Cl_{2}N_{2}O_{5}'
ChemSpider 2D Image | 1-[4-(4-{[(2S,4R)-2-(2,4-Dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]-3-(3-hydroxyphenyl)-1-propanone | C30H32Cl2N2O5

1-[4-(4-{[(2S,4R)-2-(2,4-Dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]-3-(3-hydroxyphenyl)-1-propanone

  • Molecular FormulaC30H32Cl2N2O5
  • Average mass571.492 Da
  • Monoisotopic mass570.168823 Da
  • ChemSpider ID128438598

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[4-(4-{[(2S,4R)-2-(2,4-Dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]-3-(3-hydroxyphenyl)-1-propanone [ACD/IUPAC Name]
1-[4-(4-{[(2S,4R)-2-(2,4-Dichlorophényl)-2-méthyl-1,3-dioxolan-4-yl]méthoxy}phényl)-1-pipérazinyl]-3-(3-hydroxyphényl)-1-propanone [French] [ACD/IUPAC Name]
1-[4-(4-{[(2S,4R)-2-(2,4-Dichlorphenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]-3-(3-hydroxyphenyl)-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-3-(3-hydroxyphenyl)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4460173/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 762.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 415.1±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 150.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7355.53
ACD/KOC (pH 5.5): 20270.40
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7480.39
ACD/KOC (pH 7.4): 20614.50
Polar Surface Area: 71 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 437.0±3.0 cm3

Click to predict properties on the Chemicalize site


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