ChemSpider 2D Image | (2E)-N-[(13S,16S,19S)-16-(Hydroxymethyl)-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]-3-phenylacrylamide | C35H37N7O6

(2E)-N-[(13S,16S,19S)-16-(Hydroxymethyl)-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]-3-phenylacrylamide

  • Molecular FormulaC35H37N7O6
  • Average mass651.712 Da
  • Monoisotopic mass651.280518 Da
  • ChemSpider ID81384946

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2E)-N-[(13S,16S,19S)-16-(Hydroxymethyl)-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]-3-phenylacrylamid [German] [ACD/IUPAC Name]
(2E)-N-[(13S,16S,19S)-16-(Hydroxymethyl)-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]-3-phenylacrylamide [ACD/IUPAC Name]
(2E)-N-[(13S,16S,19S)-16-(Hydroxyméthyl)-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]-3-phénylacrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[(16S,19S,22S)-6,7,8,9,15,16,17,18,19,20,21,22-dodecahydro-19-(hydroxymethyl)-22-methyl-6,17,20-trioxo-2-phenyl-11,14-etheno-5H-[1,2,4]triazolo[1,5-g][1,4,7,10,13]oxatetraazacycloeico sin-16-yl]-3-phenyl-, (2E)- [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: 1.662
Molar Refractivity: 178.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.68
ACD/KOC (pH 5.5): 70.40
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.68
ACD/KOC (pH 7.4): 70.40
Polar Surface Area: 177 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 483.1±7.0 cm3

Click to predict properties on the Chemicalize site


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