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Search term: IDWTZCZXXFOLNV-DOYYSQEVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (4S,4aS,5aR,12aS)-4-(Diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-2-pyrrolidinyl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide | C28H32F3N3O7

(4S,4aS,5aR,12aS)-4-(Diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-2-pyrrolidinyl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide

  • Molecular FormulaC28H32F3N3O7
  • Average mass579.565 Da
  • Monoisotopic mass579.219238 Da
  • ChemSpider ID129308921

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4S,4aS,5aR,12aS)-4-(Diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-2-pyrrolidinyl]-7-(trifluormethyl)-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4S,4aS,5aR,12aS)-4-(Diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-2-pyrrolidinyl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4S,4aS,5aR,12aS)-4-(Diéthylamino)-3,10,12,12a-tétrahydroxy-1,11-dioxo-8-[(2S)-2-pyrrolidinyl]-7-(trifluorométhyl)-1,4,4a,5,5a,6,11,12a-octahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
2-Naphthacenecarboxamide, 4-(diethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-2-pyrrolidinyl]-7-(trifluoromethyl)-, (4S,4aS,5aR,12aS)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 804.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 440.3±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 137.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.29
ACD/LogD (pH 5.5): -1.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 76.1±5.0 dyne/cm
Molar Volume: 372.5±5.0 cm3

Click to predict properties on the Chemicalize site


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