ChemSpider 2D Image | fasitibant | C36H49Cl2N6O6S

fasitibant

  • Molecular FormulaC36H49Cl2N6O6S
  • Average mass764.781 Da
  • Monoisotopic mass763.280579 Da
  • ChemSpider ID9673658

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-Amino-5-{4-[(4-{[(2,4-dichlor-3-{[(2,4-dimethyl-8-chinolinyl)oxy]methyl}phenyl)sulfonyl]amino}tetrahydro-2H-pyran-4-yl)carbonyl]-1-piperazinyl}-N,N,N-trimethyl-5-oxo-1-pentanaminium [German] [ACD/IUPAC Name]
(4S)-4-Amino-5-{4-[(4-{[(2,4-dichloro-3-{[(2,4-diméthyl-8-quinoléinyl)oxy]méthyl}phényl)sulfonyl]amino}tétrahydro-2H-pyran-4-yl)carbonyl]-1-pipérazinyl}-N,N,N-triméthyl-5-oxo-1-pentanaminium [French] [ACD/IUPAC Name]
(4S)-4-Amino-5-{4-[(4-{[(2,4-dichloro-3-{[(2,4-dimethyl-8-quinolinyl)oxy]methyl}phenyl)sulfonyl]amino}tetrahydro-2H-pyran-4-yl)carbonyl]-1-piperazinyl}-N,N,N-trimethyl-5-oxo-1-pentanaminium [ACD/IUPAC Name]
1-Piperazinepentanaminium, δ-amino-4-[[4-[[[2,4-dichloro-3-[[(2,4-dimethyl-8-quinolinyl)oxy]methyl]phenyl]sulfonyl]amino]tetrahydro-2H-pyran-4-yl]carbonyl]-N,N,N-trimethyl-ε-oxo-, (δS)- [ACD/Index Name]
869939-83-3 [RN]
fasitibant [INN]
fasitibant [Spanish] [INN]
fasitibant [French] [INN]
fasitibantum [Latin] [INN]
[(4S)-4-amino-5-[4-[[4-[[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylamino]-4-tetrahydropyranyl]-oxomethyl]-1-piperazinyl]-5-oxopentyl]-trimethylammonium
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -0.54
ACD/LogD (pH 5.5): -2.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.71
Polar Surface Area: 153 Å2
Polarizability:
Surface Tension:
Molar Volume:

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