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Search term: GBEKMUYDTMZKOO-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-(4-{[5-Amino-4-(4-chlorobenzoyl)-3-thienyl]methyl}-1-piperazinyl)benzonitrile | C23H21ClN4OS

4-(4-{[5-Amino-4-(4-chlorobenzoyl)-3-thienyl]methyl}-1-piperazinyl)benzonitrile

  • Molecular FormulaC23H21ClN4OS
  • Average mass436.957 Da
  • Monoisotopic mass436.112457 Da
  • ChemSpider ID23344344

More details:

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

4-(4-{[5-Amino-4-(4-chlorbenzoyl)-3-thienyl]methyl}-1-piperazinyl)benzonitril [German] [ACD/IUPAC Name]
4-(4-{[5-Amino-4-(4-chlorobenzoyl)-3-thienyl]methyl}-1-piperazinyl)benzonitrile [ACD/IUPAC Name]
4-(4-{[5-Amino-4-(4-chlorobenzoyl)-3-thiényl]méthyl}-1-pipérazinyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[4-[[5-amino-4-(4-chlorobenzoyl)-3-thienyl]methyl]-1-piperazinyl]- [ACD/Index Name]
4-(4-((5-amino-4-(4-chlorobenzoyl)thiophen-3-yl)methyl)piperazin-1-yl)benzonitrile
4-(4-{[5-amino-4-(4-chlorobenzoyl)thiophen-3-yl]methyl}piperazin-1-yl)benzonitrile
CHEMBL461218
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL461218/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 683.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.2±31.5 °C
Index of Refraction: 1.704
Molar Refractivity: 120.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 572.70
ACD/KOC (pH 5.5): 2813.44
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 972.72
ACD/KOC (pH 7.4): 4778.57
Polar Surface Area: 102 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 311.7±5.0 cm3

Click to predict properties on the Chemicalize site


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