ChemSpider 2D Image | (2S,5S,8S,11R)-11-Benzyl-8-isopropyl-4-[(2,7,8-trimethyl-4-quinolinyl)carbonyl]-1,4,7,10,13,16,17-heptaazatricyclo[13.2.1.1~2,5~]nonadeca-15(18),16-diene-6,9,12-trione | C35H40N8O4

(2S,5S,8S,11R)-11-Benzyl-8-isopropyl-4-[(2,7,8-trimethyl-4-quinolinyl)carbonyl]-1,4,7,10,13,16,17-heptaazatricyclo[13.2.1.12,5]nonadeca-15(18),16-diene-6,9,12-trione

  • Molecular FormulaC35H40N8O4
  • Average mass636.743 Da
  • Monoisotopic mass636.317261 Da
  • ChemSpider ID62730692

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,5S,8S,11R)-11-Benzyl-8-isopropyl-4-[(2,7,8-trimethyl-4-chinolinyl)carbonyl]-1,4,7,10,13,16,17-heptaazatricyclo[13.2.1.12,5]nonadeca-15(18),16-dien-6,9,12-trion [German] [ACD/IUPAC Name]
(2S,5S,8S,11R)-11-Benzyl-8-isopropyl-4-[(2,7,8-triméthyl-4-quinoléinyl)carbonyl]-1,4,7,10,13,16,17-heptaazatricyclo[13.2.1.12,5]nonadéca-15(18),16-diène-6,9,12-trione [French] [ACD/IUPAC Name]
(2S,5S,8S,11R)-11-Benzyl-8-isopropyl-4-[(2,7,8-trimethyl-4-quinolinyl)carbonyl]-1,4,7,10,13,16,17-heptaazatricyclo[13.2.1.12,5]nonadeca-15(18),16-diene-6,9,12-trione [ACD/IUPAC Name]
1,4,7,10,13,16,17-Heptaazatricyclo[13.2.1.12,5]nonadeca-15(18),16-diene-6,9,12-trione, 8-(1-methylethyl)-11-(phenylmethyl)-4-[(2,7,8-trimethyl-4-quinolinyl)carbonyl]-, (2S,5S,8S,11R)- [ACD/Index Name]
(2S,5S,8S,11R)-11-benzyl-8-isopropyl-4-[(2,7,8-trimethylquinolin-4-yl)carbonyl]-1,4,7,10,13,16,17-heptaazatricyclo[13.2.1.12,5]nonadeca-15(18),16-diene-6,9,12-trione

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.701
Molar Refractivity: 177.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 10.90
ACD/KOC (pH 5.5): 184.35
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.59
ACD/KOC (pH 7.4): 213.10
Polar Surface Area: 151 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 458.2±7.0 cm3

Click to predict properties on the Chemicalize site


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