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Search term: FZJJRAXEHQBZEC-BXYJTDFISA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{(1R,2R,3S)-2-(Carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N'-(4-chloro-3-fluorophenyl)ethanediamide | C25H32ClFN6O4

N-{(1R,2R,3S)-2-(Carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N'-(4-chloro-3-fluorophenyl)ethanediamide

  • Molecular FormulaC25H32ClFN6O4
  • Average mass535.011 Da
  • Monoisotopic mass534.215759 Da
  • ChemSpider ID129249170

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Ethanediamide, N1-[(1R,2R,3S)-2-[[(aminoiminomethyl)amino]methyl]-3-[(3S)-3,4-dihydroxybutyl]-2,3-dihydro-5-[(methylamino)methyl]-1H-inden-1-yl]-N2-(4-chloro-3-fluorophenyl)- [ACD/Index Name]
N-{(1R,2R,3S)-2-(Carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N'-(4-chlor-3-fluorphenyl)ethandiamid [German] [ACD/IUPAC Name]
N-{(1R,2R,3S)-2-(Carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N'-(4-chloro-3-fluorophenyl)ethanediamide [ACD/IUPAC Name]
N-{(1R,2R,3S)-2-(Carbamimidamidométhyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(méthylamino)méthyl]-2,3-dihydro-1H-indén-1-yl}-N'-(4-chloro-3-fluorophényl)éthanediamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 133.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.23
ACD/LogD (pH 5.5): -3.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 361.8±7.0 cm3

Click to predict properties on the Chemicalize site


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