ChemSpider 2D Image | (8R,11S,17S)-17-Benzyl-13-(cyclopropylcarbonyl)-11-isopropyl-2,8-dimethyl-7,8,11,12,13,14,16,17-octahydro-5H-[1,2,4]triazolo[1,5-a][1,4,7,10,13]pentaazacyclopentadecine-6,9,15(10H)-trione | C27H37N7O4

(8R,11S,17S)-17-Benzyl-13-(cyclopropylcarbonyl)-11-isopropyl-2,8-dimethyl-7,8,11,12,13,14,16,17-octahydro-5H-[1,2,4]triazolo[1,5-a][1,4,7,10,13]pentaazacyclopentadecine-6,9,15(10H)-trione

  • Molecular FormulaC27H37N7O4
  • Average mass523.627 Da
  • Monoisotopic mass523.290710 Da
  • ChemSpider ID71343719

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(8R,11S,17S)-17-Benzyl-13-(cyclopropylcarbonyl)-11-isopropyl-2,8-dimethyl-7,8,11,12,13,14,16,17-octahydro-5H-[1,2,4]triazolo[1,5-a][1,4,7,10,13]pentaazacyclopentadecin-6,9,15(10H)-trion [German] [ACD/IUPAC Name]
(8R,11S,17S)-17-Benzyl-13-(cyclopropylcarbonyl)-11-isopropyl-2,8-dimethyl-7,8,11,12,13,14,16,17-octahydro-5H-[1,2,4]triazolo[1,5-a][1,4,7,10,13]pentaazacyclopentadecine-6,9,15(10H)-trione [ACD/IUPAC Name]
(8R,11S,17S)-17-Benzyl-13-(cyclopropylcarbonyl)-11-isopropyl-2,8-diméthyl-7,8,11,12,13,14,16,17-octahydro-5H-[1,2,4]triazolo[1,5-a][1,4,7,10,13]pentaazacyclopentadécine-6,9,15(10H)-trione [French] [ACD/IUPAC Name]
5H-[1,2,4]Triazolo[1,5-a][1,4,7,10,13]pentaazacyclopentadecine-6,9,15(10H)-trione, 13-(cyclopropylcarbonyl)-7,8,11,12,13,14,16,17-octahydro-2,8-dimethyl-11-(1-methylethyl)-17-(phenylmethyl)-, (8R,11S, 17S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 142.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.16
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.82
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.85
Polar Surface Area: 138 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 383.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement