ChemSpider 2D Image | N-{(2S)-1-[4-(3-aminopropyl)piperazin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl}-3-(trifluoromethyl)benzenesulfonamide | C20H32F3N7O3S

N-{(2S)-1-[4-(3-aminopropyl)piperazin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl}-3-(trifluoromethyl)benzenesulfonamide

  • Molecular FormulaC20H32F3N7O3S
  • Average mass507.573 Da
  • Monoisotopic mass507.223938 Da
  • ChemSpider ID5254580

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzenesulfonamide, N-[(1S)-1-[[4-(3-aminopropyl)-1-piperazinyl]carbonyl]-4-[(diaminomethylene)amino]butyl]-3-(trifluoromethyl)- [ACD/Index Name]
benzenesulfonamide, N-[(1S)-4-[(aminoiminomethyl)amino]-1-[[4-(3-aminopropyl)-1-piperazinyl]carbonyl]butyl]-3-(trifluoromethyl)-
N-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERAZIN-1-YL]CARBONYL}-4-[(DIAMINOMETHYLENE)AMINO]BUTYL}-3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE
N-{(2S)-1-[4-(3-Aminopropyl)-1-piperazinyl]-5-[(diaminomethylen)amino]-1-oxo-2-pentanyl}-3-(trifluormethyl)benzolsulfonamid [German] [ACD/IUPAC Name]
N-{(2S)-1-[4-(3-Aminopropyl)-1-piperazinyl]-5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}-3-(trifluoromethyl)benzenesulfonamide [ACD/IUPAC Name]
N-{(2S)-1-[4-(3-Aminopropyl)-1-pipérazinyl]-5-[(diaminométhylène)amino]-1-oxo-2-pentanyl}-3-(trifluorométhyl)benzènesulfonamide [French] [ACD/IUPAC Name]
N-{(2S)-1-[4-(3-aminopropyl)piperazin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl}-3-(trifluoromethyl)benzenesulfonamide
CHEMBL387841
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL387841/
L-ARGININE TEMPLATE INHIBITOR CS107
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 695.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 374.6±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 120.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -4.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 350.1±7.0 cm3

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