ChemSpider 2D Image | 3-[3-(4-Acetyl-1-piperazinyl)-2-{[(3,4-dimethoxybenzyl)sulfamoyl]amino}-3-oxopropyl]benzenecarboximidamide | C25H34N6O6S

3-[3-(4-Acetyl-1-piperazinyl)-2-{[(3,4-dimethoxybenzyl)sulfamoyl]amino}-3-oxopropyl]benzenecarboximidamide

  • Molecular FormulaC25H34N6O6S
  • Average mass546.639 Da
  • Monoisotopic mass546.226074 Da
  • ChemSpider ID23151687

More details:

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

3-[3-(4-Acetyl-1-piperazinyl)-2-{[(3,4-dimethoxybenzyl)sulfamoyl]amino}-3-oxopropyl]benzenecarboximidamide [ACD/IUPAC Name]
3-[3-(4-Acétyl-1-pipérazinyl)-2-{[(3,4-diméthoxybenzyl)sulfamoyl]amino}-3-oxopropyl]benzènecarboximidamide [French] [ACD/IUPAC Name]
3-[3-(4-Acetyl-1-piperazinyl)-2-{[(3,4-dimethoxybenzyl)sulfamoyl]amino}-3-oxopropyl]benzolcarboximidamid [German] [ACD/IUPAC Name]
Benzenecarboximidamide, 3-[3-(4-acetyl-1-piperazinyl)-2-[[[[(3,4-dimethoxyphenyl)methyl]amino]sulfonyl]amino]-3-oxopropyl]- [ACD/Index Name]
3-[3-(4-acetylpiperazin-1-yl)-2-({[(3,4-dimethoxyphenyl)methyl]sulfamoyl}amino)-3-oxopropyl]benzene-1-carboximidamide
Benzamidine analogue
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL432105/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 801.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 438.3±37.1 °C
Index of Refraction: 1.629
Molar Refractivity: 141.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -1.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 398.7±7.0 cm3

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