ChemSpider 2D Image | N-[(10S,18S)-10-Isobutyl-8-methyl-4,9,12,17-tetraoxo-2-oxa-5,8,11,16-tetraazabicyclo[18.2.2]tetracosa-1(22),20,23-trien-18-yl]nicotinamide | C30H40N6O6

N-[(10S,18S)-10-Isobutyl-8-methyl-4,9,12,17-tetraoxo-2-oxa-5,8,11,16-tetraazabicyclo[18.2.2]tetracosa-1(22),20,23-trien-18-yl]nicotinamide

  • Molecular FormulaC30H40N6O6
  • Average mass580.675 Da
  • Monoisotopic mass580.300903 Da
  • ChemSpider ID71344891

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Pyridinecarboxamide, N-[(10S,18S)-8-methyl-10-(2-methylpropyl)-4,9,12,17-tetraoxo-2-oxa-5,8,11,16-tetraazabicyclo[18.2.2]tetracosa-20,22,23-trien-18-yl]- [ACD/Index Name]
N-[(10S,18S)-10-Isobutyl-8-methyl-4,9,12,17-tetraoxo-2-oxa-5,8,11,16-tetraazabicyclo[18.2.2]tetracosa-1(22),20,23-trien-18-yl]nicotinamid [German] [ACD/IUPAC Name]
N-[(10S,18S)-10-Isobutyl-8-methyl-4,9,12,17-tetraoxo-2-oxa-5,8,11,16-tetraazabicyclo[18.2.2]tetracosa-1(22),20,23-trien-18-yl]nicotinamide [ACD/IUPAC Name]
N-[(10S,18S)-10-Isobutyl-8-méthyl-4,9,12,17-tétraoxo-2-oxa-5,8,11,16-tétraazabicyclo[18.2.2]tétracosa-1(22),20,23-trién-18-yl]nicotinamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 984.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.8±3.0 kJ/mol
Flash Point: 549.4±34.3 °C
Index of Refraction: 1.593
Molar Refractivity: 155.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.91
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.31
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.44
Polar Surface Area: 159 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 460.4±5.0 cm3

Click to predict properties on the Chemicalize site


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