ChemSpider 2D Image | (6S)-24-Methoxy-6,8-dimethyl-13-[(1-methyl-6-oxo-1,6-dihydro-3-pyridazinyl)carbonyl]-2-oxa-5,8,13,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-triene-4,7,18-trione | C29H40N6O7

(6S)-24-Methoxy-6,8-dimethyl-13-[(1-methyl-6-oxo-1,6-dihydro-3-pyridazinyl)carbonyl]-2-oxa-5,8,13,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-triene-4,7,18-trione

  • Molecular FormulaC29H40N6O7
  • Average mass584.664 Da
  • Monoisotopic mass584.295837 Da
  • ChemSpider ID62730478
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(6S)-24-Methoxy-6,8-dimethyl-13-[(1-methyl-6-oxo-1,6-dihydro-3-pyridazinyl)carbonyl]-2-oxa-5,8,13,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-trien-4,7,18-trion [German] [ACD/IUPAC Name]
(6S)-24-Methoxy-6,8-dimethyl-13-[(1-methyl-6-oxo-1,6-dihydro-3-pyridazinyl)carbonyl]-2-oxa-5,8,13,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-triene-4,7,18-trione [ACD/IUPAC Name]
(6S)-24-Méthoxy-6,8-diméthyl-13-[(1-méthyl-6-oxo-1,6-dihydro-3-pyridazinyl)carbonyl]-2-oxa-5,8,13,17-tétraazabicyclo[19.3.1]pentacosa-1(25),21,23-triène-4,7,18-trione [French] [ACD/IUPAC Name]
2-Oxa-5,8,13,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-triene-4,7,18-trione, 13-[(1,6-dihydro-1-methyl-6-oxo-3-pyridazinyl)carbonyl]-24-methoxy-6,8-dimethyl-, (6S)- [ACD/Index Name]
(6S)-24-methoxy-6,8-dimethyl-13-[(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)carbonyl]-2-oxa-5,8,13,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-triene-4,7,18-trione

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.600
Molar Refractivity: 155.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -2.59
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.88
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.88
Polar Surface Area: 150 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 455.4±7.0 cm3

Click to predict properties on the Chemicalize site






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