Found 43 results

Search term: MF = 'C_{28}H_{32}N_{6}O_{6}S'
ChemSpider 2D Image | Methyl 4-{10-(4-carbamimidoylphenyl)-2,2-dioxido-5,8-dioxo-4-[2-(4-pyridinyl)ethyl]-2lambda~6~-thia-3,6,9-triazadec-1-yl}benzoate | C28H32N6O6S

Methyl 4-{10-(4-carbamimidoylphenyl)-2,2-dioxido-5,8-dioxo-4-[2-(4-pyridinyl)ethyl]-2λ6-thia-3,6,9-triazadec-1-yl}benzoate

  • Molecular FormulaC28H32N6O6S
  • Average mass580.655 Da
  • Monoisotopic mass580.210388 Da
  • ChemSpider ID9425204

More details:

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

4-{10-(4-Carbamimidoylphényl)-5,8-dioxo-2,2-dioxydo-4-[2-(4-pyridinyl)éthyl]-2λ6-thia-3,6,9-triazadéc-1-yl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[[1-[[[2-[[[4-[(Z)-aminoiminomethyl]phenyl]methyl]amino]-2-oxoethyl]amino]carbonyl]-3-(4-pyridinyl)propyl]amino]sulfonyl]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-{10-(4-carbamimidoylphenyl)-2,2-dioxido-5,8-dioxo-4-[2-(4-pyridinyl)ethyl]-2λ6-thia-3,6,9-triazadec-1-yl}benzoate [ACD/IUPAC Name]
Methyl-4-{10-(4-carbamimidoylphenyl)-2,2-dioxido-5,8-dioxo-4-[2-(4-pyridinyl)ethyl]-2λ6-thia-3,6,9-triazadec-1-yl}benzoat [German] [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: 1.638
Molar Refractivity: 153.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 0.76
ACD/LogD (pH 5.5): -1.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 427.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement