ChemSpider 2D Image | N-[(6S,9R,12R,15S)-6-Benzyl-12-isopropyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclooctadecan-15-yl]hexahydroimidazo[2,1-b][1,3]thiazole-6-carboxamide | C31H46N8O6S

N-[(6S,9R,12R,15S)-6-Benzyl-12-isopropyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclooctadecan-15-yl]hexahydroimidazo[2,1-b][1,3]thiazole-6-carboxamide

  • Molecular FormulaC31H46N8O6S
  • Average mass658.812 Da
  • Monoisotopic mass658.326111 Da
  • ChemSpider ID114560743

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

Imidazo[2,1-b]thiazole-6-carboxamide, N-[(6S,9R,12R,15S)-4,9-dimethyl-12-(1-methylethyl)-2,5,8,11,14-pentaoxo-6-(phenylmethyl)-1,4,7,10,13-pentaazacyclooctadec-15-yl]hexahydro- [ACD/Index Name]
N-[(6S,9R,12R,15S)-6-Benzyl-12-isopropyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclooctadecan-15-yl]hexahydroimidazo[2,1-b][1,3]thiazol-6-carboxamid [German] [ACD/IUPAC Name]
N-[(6S,9R,12R,15S)-6-Benzyl-12-isopropyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclooctadecan-15-yl]hexahydroimidazo[2,1-b][1,3]thiazole-6-carboxamide [ACD/IUPAC Name]
N-[(6S,9R,12R,15S)-6-Benzyl-12-isopropyl-4,9-diméthyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclooctadécan-15-yl]hexahydroimidazo[2,1-b][1,3]thiazole-6-carboxamide [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: 1090.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.5±3.0 kJ/mol
Flash Point: 613.3±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 174.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -0.97
ACD/LogD (pH 5.5): -1.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.48
ACD/LogD (pH 7.4): -0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.43
Polar Surface Area: 206 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 496.5±5.0 cm3

Click to predict properties on the Chemicalize site


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