ChemSpider 2D Image | (4R,11R,18R)-4,11,18-Triisopropyl-6,13,20-trithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione | C24H30N6O3S3

(4R,11R,18R)-4,11,18-Triisopropyl-6,13,20-trithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione

  • Molecular FormulaC24H30N6O3S3
  • Average mass546.728 Da
  • Monoisotopic mass546.154175 Da
  • ChemSpider ID10266138

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R,11R,18R)-4,11,18-Triisopropyl-6,13,20-trithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaen-2,9,16-trion [German] [ACD/IUPAC Name]
(4R,11R,18R)-4,11,18-Triisopropyl-6,13,20-trithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione [ACD/IUPAC Name]
(4R,11R,18R)-4,11,18-Triisopropyl-6,13,20-trithia-3,10,17,22,23,24-hexaazatétracyclo[17.2.1.15,8.112,15]tétracosa-1(21),5(24),7,12(23),14,19(22)-hexaène-2,9,16-trione [French] [ACD/IUPAC Name]
6,13,20-Trithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),7,12(23),14,19(22),21-hexaene-2,9,16-trione, 4,11,18-tris(1-methylethyl)-, (4R,11R,18R)- [ACD/Index Name]

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

Density: 1.3±0.0 g/cm3
Boiling Point: 866.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 125.9±0.0 kJ/mol
Flash Point: 477.7±0.0 °C
Index of Refraction: 1.567
Molar Refractivity: 142.9±0.0 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 6.66
ACD/BCF (pH 5.5): 68500.06
ACD/KOC (pH 5.5): 100621.28
ACD/LogD (pH 7.4): 6.66
ACD/BCF (pH 7.4): 68498.71
ACD/KOC (pH 7.4): 100619.29
Polar Surface Area: 211 Å2
Polarizability: 56.7±0.0 10-24cm3
Surface Tension: 47.2±0.0 dyne/cm
Molar Volume: 437.6±0.0 cm3

Click to predict properties on the Chemicalize site


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