ChemSpider 2D Image | N-[5-(Carbamimidoylcarbamoyl)-2-{2-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]ethoxy}phenyl]-2-thiophenecarboxamide | C29H36N6O6S

N-[5-(Carbamimidoylcarbamoyl)-2-{2-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]ethoxy}phenyl]-2-thiophenecarboxamide

  • Molecular FormulaC29H36N6O6S
  • Average mass596.698 Da
  • Monoisotopic mass596.241699 Da
  • ChemSpider ID26610762

More details:

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

2-Thiophenecarboxamide, N-[5-[[(aminoiminomethyl)amino]carbonyl]-2-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]ethoxy]phenyl]- [ACD/Index Name]
N-[5-(Carbamimidoylcarbamoyl)-2-{2-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]ethoxy}phenyl]-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-[5-(Carbamimidoylcarbamoyl)-2-{2-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]ethoxy}phenyl]-2-thiophenecarboxamide [ACD/IUPAC Name]
N-[5-(Carbamimidoylcarbamoyl)-2-{2-[4-(2,3,4-triméthoxybenzyl)-1-pipérazinyl]éthoxy}phényl]-2-thiophènecarboxamide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 158.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -0.48
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.60
ACD/KOC (pH 7.4): 41.28
Polar Surface Area: 180 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 441.5±7.0 cm3

Click to predict properties on the Chemicalize site


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