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Search term: QMTWRDGSYLQRRX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (8S,11R,12S)-N~12~-Hydroxy-2,10-dioxo-N~8~-[2-oxo-2-(1-piperazinyl)ethyl]-11-{[3'-(trifluoromethyl)-4-biphenylyl]methyl}-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide | C34H43F3N6O7

(8S,11R,12S)-N12-Hydroxy-2,10-dioxo-N8-[2-oxo-2-(1-piperazinyl)ethyl]-11-{[3'-(trifluoromethyl)-4-biphenylyl]methyl}-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide

  • Molecular FormulaC34H43F3N6O7
  • Average mass704.736 Da
  • Monoisotopic mass704.314514 Da
  • ChemSpider ID9062292

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(8S,11R,12S)-N12-Hydroxy-2,10-dioxo-N8-[2-oxo-2-(1-piperazinyl)ethyl]-11-{[3'-(trifluormethyl)-4-biphenylyl]methyl}-1-oxa-3,9-diazacyclopentadecan-8,12-dicarboxamid [German] [ACD/IUPAC Name]
(8S,11R,12S)-N12-Hydroxy-2,10-dioxo-N8-[2-oxo-2-(1-piperazinyl)ethyl]-11-{[3'-(trifluoromethyl)-4-biphenylyl]methyl}-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide [ACD/IUPAC Name]
(8S,11R,12S)-N12-Hydroxy-2,10-dioxo-N8-[2-oxo-2-(1-pipérazinyl)éthyl]-11-{[3'-(trifluorométhyl)-4-biphénylyl]méthyl}-1-oxa-3,9-diazacyclopentadécane-8,12-dicarboxamide [French] [ACD/IUPAC Name]
(8S,11R,12S)-N12-hydroxy-2,10-dioxo-N8-[2-oxo-2-(piperazin-1-yl)ethyl]-11-{[3'-(trifluoromethyl)biphenyl-4-yl]methyl}-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide
1-Oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide, N12-hydroxy-2,10-dioxo-N8-[2-oxo-2-(1-piperazinyl)ethyl]-11-[[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methyl]-, (8S,11R,12S)- [ACD/Index Name]
2,10-Dioxo-11-(3'-trifluoromethyl-biphenyl-4-ylmethyl)-1-oxa-3,9-diaza-cyclopentadecane-8,12-dicarboxylic acid 12-hydroxyamide 8-[(2-oxo-2-piperazin-1-yl-ethyl)-amide]
CHEMBL325421

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.530
Molar Refractivity: 173.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.08
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.34
ACD/KOC (pH 7.4): 22.08
Polar Surface Area: 178 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 560.2±3.0 cm3

Click to predict properties on the Chemicalize site


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