ChemSpider 2D Image | (4R,7R,10S,15E,17R,19S)-7-[(2-Bromo-1H-indol-3-yl)methyl]-4-(4-methoxyphenyl)-10,15,17,19-tetramethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone | C35H43BrN4O6

(4R,7R,10S,15E,17R,19S)-7-[(2-Bromo-1H-indol-3-yl)methyl]-4-(4-methoxyphenyl)-10,15,17,19-tetramethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone

  • Molecular FormulaC35H43BrN4O6
  • Average mass695.643 Da
  • Monoisotopic mass694.236572 Da
  • ChemSpider ID25052942

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4R,7R,10S,15E,17R,19S)-7-[(2-Brom-1H-indol-3-yl)methyl]-4-(4-methoxyphenyl)-10,15,17,19-tetramethyl-1-oxa-5,8,11-triazacyclononadec-15-en-2,6,9,12-tetron [German] [ACD/IUPAC Name]
(4R,7R,10S,15E,17R,19S)-7-[(2-Bromo-1H-indol-3-yl)methyl]-4-(4-methoxyphenyl)-10,15,17,19-tetramethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone [ACD/IUPAC Name]
(4R,7R,10S,15E,17R,19S)-7-[(2-Bromo-1H-indol-3-yl)méthyl]-4-(4-méthoxyphényl)-10,15,17,19-tétraméthyl-1-oxa-5,8,11-triazacyclononadéc-15-ène-2,6,9,12-tétrone [French] [ACD/IUPAC Name]
1-Oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone, 7-[(2-bromo-1H-indol-3-yl)methyl]-4-(4-methoxyphenyl)-10,15,17,19-tetramethyl-, (4R,7R,10S,15E,17R,19S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 974.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.2±3.0 kJ/mol
Flash Point: 543.3±34.3 °C
Index of Refraction: 1.546
Molar Refractivity: 180.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2145.75
ACD/KOC (pH 5.5): 8439.96
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2145.75
ACD/KOC (pH 7.4): 8439.96
Polar Surface Area: 139 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 568.5±3.0 cm3

Click to predict properties on the Chemicalize site


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