ChemSpider 2D Image | (3R,6R)-6-[(2R)-2-Butanyl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-(4-morpholinyl)-2-oxoethyl]-2,5-piperazinedione | C27H34N4O5

(3R,6R)-6-[(2R)-2-Butanyl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-(4-morpholinyl)-2-oxoethyl]-2,5-piperazinedione

  • Molecular FormulaC27H34N4O5
  • Average mass494.583 Da
  • Monoisotopic mass494.252930 Da
  • ChemSpider ID23323798

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,6R)-6-[(2R)-2-Butanyl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-(4-morpholinyl)-2-oxoethyl]-2,5-piperazindion [German] [ACD/IUPAC Name]
(3R,6R)-6-[(2R)-2-Butanyl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-(4-morpholinyl)-2-oxoethyl]-2,5-piperazinedione [ACD/IUPAC Name]
(3R,6R)-6-[(2R)-2-Butanyl]-3-(2,3-dihydro-1H-indén-2-yl)-1-[(1R)-1-(2-méthyl-1,3-oxazol-4-yl)-2-(4-morpholinyl)-2-oxoéthyl]-2,5-pipérazinedione [French] [ACD/IUPAC Name]
(3R,6R)-6-[(2R)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-(morpholin-4-yl)-2-oxoethyl]piperazine-2,5-dione
2,5-Piperazinedione, 3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-4-oxazolyl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1R)-1-methylpropyl]-, (3R,6R)- [ACD/Index Name]
(3R,6R)-6-((R)-sec-butyl)-3-(2,3-dihydro-1H-inden-2-yl)-1-((R)-1-(2-methyloxazol-4-yl)-2-morpholino-2-oxoethyl)piperazine-2,5-dione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL401858/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 770.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 419.5±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 131.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.62
ACD/KOC (pH 5.5): 225.65
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.62
ACD/KOC (pH 7.4): 225.65
Polar Surface Area: 105 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 393.4±3.0 cm3

Click to predict properties on the Chemicalize site


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