ChemSpider 2D Image | (6S)-6-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-5-oxo-2-(trifluoromethyl)-6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazole-3-carboxylic acid | C14H13F3N6O5S

(6S)-6-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-5-oxo-2-(trifluoromethyl)-6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazole-3-carboxylic acid

  • Molecular FormulaC14H13F3N6O5S
  • Average mass434.350 Da
  • Monoisotopic mass434.062012 Da
  • ChemSpider ID23130371

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-6-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-5-oxo-2-(trifluormethyl)-6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
(6S)-6-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-5-oxo-2-(trifluoromethyl)-6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazole-3-carboxylic acid [ACD/IUPAC Name]
1H,5H-Pyrazolo[1,2-a]pyrazole-3-carboxylic acid, 6-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)-1-oxoethyl]amino]-6,7-dihydro-5-oxo-2-(trifluoromethyl)-, (6S)- [ACD/Index Name]
Acide (6S)-6-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(méthoxyimino)acétyl]amino}-5-oxo-2-(trifluorométhyl)-6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
6-[2-(2-Amino-thiazol-4-yl)-2-methoxyimino-acetylamino]-7-oxo-2-trifluoromethyl-6,7-dihydro-3H,5H-pyrazolo[1,2-a]pyrazole-1-carboxylic acid

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.729
Molar Refractivity: 91.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.50
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 72.0±7.0 dyne/cm
Molar Volume: 228.1±7.0 cm3

Click to predict properties on the Chemicalize site


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