ChemSpider 2D Image | 3-Cyano-N-[(13S,16R,19S)-16-isopropyl-13-methyl-6,15,18-trioxo-10-phenyl-2-oxa-5,8,9,11,14,17-hexaazatricyclo[19.2.2.0~8,12~]pentacosa-1(23),9,11,21,24-pentaen-19-yl]benzamide | C36H38N8O5

3-Cyano-N-[(13S,16R,19S)-16-isopropyl-13-methyl-6,15,18-trioxo-10-phenyl-2-oxa-5,8,9,11,14,17-hexaazatricyclo[19.2.2.08,12]pentacosa-1(23),9,11,21,24-pentaen-19-yl]benzamide

  • Molecular FormulaC36H38N8O5
  • Average mass662.737 Da
  • Monoisotopic mass662.296509 Da
  • ChemSpider ID81379592

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-Cyan-N-[(13S,16R,19S)-16-isopropyl-13-methyl-6,15,18-trioxo-10-phenyl-2-oxa-5,8,9,11,14,17-hexaazatricyclo[19.2.2.08,12]pentacosa-1(23),9,11,21,24-pentaen-19-yl]benzamid [German] [ACD/IUPAC Name]
3-Cyano-N-[(13S,16R,19S)-16-isopropyl-13-methyl-6,15,18-trioxo-10-phenyl-2-oxa-5,8,9,11,14,17-hexaazatricyclo[19.2.2.08,12]pentacosa-1(23),9,11,21,24-pentaen-19-yl]benzamide [ACD/IUPAC Name]
3-Cyano-N-[(13S,16R,19S)-16-isopropyl-13-méthyl-6,15,18-trioxo-10-phényl-2-oxa-5,8,9,11,14,17-hexaazatricyclo[19.2.2.08,12]pentacosa-1(23),9,11,21,24-pentaén-19-yl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-cyano-N-[(16S,19R,22S)-6,7,8,9,15,16,17,18,19,20,21,22-dodecahydro-22-methyl-19-(1-methylethyl)-6,17,20-trioxo-2-phenyl-11,14-etheno-5H-[1,2,4]triazolo[1,5-g][1,4,7,10,13]oxatetraazacyclo eicosin-16-yl]- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.663
Molar Refractivity: 184.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.92
ACD/KOC (pH 5.5): 217.12
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.92
ACD/KOC (pH 7.4): 217.14
Polar Surface Area: 180 Å2
Polarizability: 73.0±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 496.9±7.0 cm3

Click to predict properties on the Chemicalize site


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