ChemSpider 2D Image | N-Carbamimidoyl-3-(methylsulfamoyl)-4-{1-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]ethyl}benzamide | C25H36N6O6S

N-Carbamimidoyl-3-(methylsulfamoyl)-4-{1-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]ethyl}benzamide

  • Molecular FormulaC25H36N6O6S
  • Average mass548.655 Da
  • Monoisotopic mass548.241699 Da
  • ChemSpider ID26342948

More details:

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

Benzamide, N-(aminoiminomethyl)-3-[(methylamino)sulfonyl]-4-[1-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]ethyl]- [ACD/Index Name]
N-Carbamimidoyl-3-(methylsulfamoyl)-4-{1-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]ethyl}benzamid [German] [ACD/IUPAC Name]
N-Carbamimidoyl-3-(methylsulfamoyl)-4-{1-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]ethyl}benzamide [ACD/IUPAC Name]
N-Carbamimidoyl-3-(méthylsulfamoyl)-4-{1-[4-(2,3,4-triméthoxybenzyl)-1-pipérazinyl]éthyl}benzamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 716.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.3±35.7 °C
Index of Refraction: 1.615
Molar Refractivity: 141.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.45
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.87
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.02
Polar Surface Area: 170 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 406.1±7.0 cm3

Click to predict properties on the Chemicalize site


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