ChemSpider 2D Image | N-{[(1S,2S,13S,15R,16S)-15-Cyano-27-methyl-11,14,25,27-tetraazaheptacyclo[14.10.1.0~2,14~.0~4,12~.0~5,10~.0~18,26~.0~19,24~]heptacosa-4(12),5,7,9,18(26),19,21,23-octaen-13-yl]methyl}-4-methoxybenzamid e | C34H32N6O2

N-{[(1S,2S,13S,15R,16S)-15-Cyano-27-methyl-11,14,25,27-tetraazaheptacyclo[14.10.1.02,14.04,12.05,10.018,26.019,24]heptacosa-4(12),5,7,9,18(26),19,21,23-octaen-13-yl]methyl}-4-methoxybenzamid e

  • Molecular FormulaC34H32N6O2
  • Average mass556.657 Da
  • Monoisotopic mass556.258667 Da
  • ChemSpider ID76790680

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Benzamide, N-[[(6S,7R,9S,15aS,16S)-7-cyano-6,7,9,10,15,15a,16,17-octahydro-18-methyl-6,16-imino-5H-indolo[2'',3'':4',5']azocino[1',2':1,6]pyrido[3,4-b]indol-9-yl]methyl]-4-methoxy- [ACD/Index Name]
N-{[(1S,2S,13S,15R,16S)-15-Cyan-27-methyl-11,14,25,27-tetraazaheptacyclo[14.10.1.02,14.04,12.05,10.018,26.019,24]heptacosa-4(12),5,7,9,18(26),19,21,23-octaen-13-yl]methyl}-4-methoxybenzamid [German] [ACD/IUPAC Name]
N-{[(1S,2S,13S,15R,16S)-15-Cyano-27-methyl-11,14,25,27-tetraazaheptacyclo[14.10.1.02,14.04,12.05,10.018,26.019,24]heptacosa-4(12),5,7,9,18(26),19,21,23-octaen-13-yl]methyl}-4-methoxybenzamid e [ACD/IUPAC Name]
N-{[(1S,2S,13S,15R,16S)-15-Cyano-27-méthyl-11,14,25,27-tétraazaheptacyclo[14.10.1.02,14.04,12.05,10.018,26.019,24]heptacosa-4(12),5,7,9,18(26),19,21,23-octaén-13-yl]méthyl}-4-méthoxybenzamid e [French] [ACD/IUPAC 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: 1.764
Molar Refractivity: 161.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 203.98
ACD/KOC (pH 5.5): 1353.92
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 337.56
ACD/KOC (pH 7.4): 2240.59
Polar Surface Area: 100 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 81.5±5.0 dyne/cm
Molar Volume: 391.5±5.0 cm3

Click to predict properties on the Chemicalize site


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