ChemSpider 2D Image | (2S)-1-[(2R)-2-{[Formyl(hydroxy)amino]methyl}hexanoyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide | C16H20F3N5O4S

(2S)-1-[(2R)-2-{[Formyl(hydroxy)amino]methyl}hexanoyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide

  • Molecular FormulaC16H20F3N5O4S
  • Average mass435.421 Da
  • Monoisotopic mass435.118805 Da
  • ChemSpider ID24663194

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-1-[(2R)-2-{[Formyl(hydroxy)amino]methyl}hexanoyl]-N-[5-(trifluormethyl)-1,3,4-thiadiazol-2-yl]-2,5-dihydro-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
(2S)-1-[(2R)-2-{[Formyl(hydroxy)amino]methyl}hexanoyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
(2S)-1-[(2R)-2-{[Formyl(hydroxy)amino]méthyl}hexanoyl]-N-[5-(trifluorométhyl)-1,3,4-thiadiazol-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
1H-Pyrrole-2-carboxamide, 1-[(2R)-2-[(formylhydroxyamino)methyl]-1-oxohexyl]-2,5-dihydro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-, (2S)- [ACD/Index 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: 1.577
Molar Refractivity: 97.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.56
ACD/KOC (pH 5.5): 86.22
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.54
ACD/KOC (pH 7.4): 61.56
Polar Surface Area: 144 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 293.8±3.0 cm3

Click to predict properties on the Chemicalize site


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