Found 1 result

Search term: LRNXGDCNTQAXDV-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2-Amino-4-{[4-(2-pyridinyl)-1-piperazinyl]methyl}-3-thienyl)(4-chlorophenyl)methanone | C21H21ClN4OS

(2-Amino-4-{[4-(2-pyridinyl)-1-piperazinyl]methyl}-3-thienyl)(4-chlorophenyl)methanone

  • Molecular FormulaC21H21ClN4OS
  • Average mass412.936 Da
  • Monoisotopic mass412.112457 Da
  • ChemSpider ID23343387

More details:

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

(2-Amino-4-{[4-(2-pyridinyl)-1-piperazinyl]methyl}-3-thienyl)(4-chlorophenyl)methanone [ACD/IUPAC Name]
(2-Amino-4-{[4-(2-pyridinyl)-1-pipérazinyl]méthyl}-3-thiényl)(4-chlorophényl)méthanone [French] [ACD/IUPAC Name]
(2-Amino-4-{[4-(2-pyridinyl)-1-piperazinyl]methyl}-3-thienyl)(4-chlorphenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [2-amino-4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-3-thienyl](4-chlorophenyl)- [ACD/Index Name]
(2-amino-4-((4-(pyridin-2-yl)piperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone
(2-amino-4-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}thiophen-3-yl)(4-chlorophenyl)methanone
CHEMBL495121
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL495121/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 650.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.4±31.5 °C
Index of Refraction: 1.672
Molar Refractivity: 114.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 1.17
ACD/KOC (pH 5.5): 8.26
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 34.13
ACD/KOC (pH 7.4): 241.88
Polar Surface Area: 91 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 306.1±3.0 cm3

Click to predict properties on the Chemicalize site


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