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Search term: VETJLOKKGTWBFO-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2-Amino-4-{[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]methyl}-3-thienyl)(4-chlorophenyl)methanone | C23H22ClN3O3S

(2-Amino-4-{[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]methyl}-3-thienyl)(4-chlorophenyl)methanone

  • Molecular FormulaC23H22ClN3O3S
  • Average mass455.957 Da
  • Monoisotopic mass455.107025 Da
  • ChemSpider ID23344343

More details:

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

(2-Amino-4-{[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]methyl}-3-thienyl)(4-chlorophenyl)methanone [ACD/IUPAC Name]
(2-Amino-4-{[4-(1,3-benzodioxol-5-yl)-1-pipérazinyl]méthyl}-3-thiényl)(4-chlorophényl)méthanone [French] [ACD/IUPAC Name]
(2-Amino-4-{[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]methyl}-3-thienyl)(4-chlorphenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [2-amino-4-[[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]methyl]-3-thienyl](4-chlorophenyl)- [ACD/Index Name]
(2-amino-4-((4-(benzo[d][1,3]dioxol-5-yl)piperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone
(2-amino-4-{[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]methyl}thiophen-3-yl)(4-chlorophenyl)methanone
CHEMBL518345
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL518345/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 695.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.1±31.5 °C
Index of Refraction: 1.681
Molar Refractivity: 122.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 584.08
ACD/KOC (pH 5.5): 3111.54
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 735.56
ACD/KOC (pH 7.4): 3918.50
Polar Surface Area: 96 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 324.1±3.0 cm3

Click to predict properties on the Chemicalize site


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