ChemSpider 2D Image | N-[(16S,17R)-17-Methoxy-17,18-dimethyl-5-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1~15,18~.0~2,6~.0~7,27~.0~8,13~.0~19,26~.0~20,25~]octacosa-1,6,8,10,12,20,22,24,26-nonaen-16-yl]-N-methylbenzamide | C35H30N4O4

N-[(16S,17R)-17-Methoxy-17,18-dimethyl-5-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-16-yl]-N-methylbenzamide

  • Molecular FormulaC35H30N4O4
  • Average mass570.637 Da
  • Monoisotopic mass570.226685 Da
  • ChemSpider ID21326186

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

Benzamide, N-[(7S,8R)-6,7,8,9,16,17-hexahydro-8-methoxy-8,9-dimethyl-17-oxo-6,9-epoxy-15H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocin-7-yl]-N-methyl- [ACD/Index Name]
N-[(16S,17R)-17-Methoxy-17,18-dimethyl-5-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-16-yl]-N-methylbenzamid [German] [ACD/IUPAC Name]
N-[(16S,17R)-17-Methoxy-17,18-dimethyl-5-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-16-yl]-N-methylbenzamide [ACD/IUPAC Name]
N-[(16S,17R)-17-Méthoxy-17,18-diméthyl-5-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaén-16-yl]-N-méthylbenzamide [French] [ACD/IUPAC Name]
120685-11-2 [RN]
BENZAMIDE,N-[(9S,10R,11R,13R)-2,3,10,11,12,13-HEXAHYDRO-10-METHOXY-9-METHYL-1-OXO-9,13-EPOXY-1H,9H-DIINDOLO[1,2,3-GH:3',2',1'-LM]PYRROLO[3,4-J][1,7]BENZODIAZONIN-11-YL]-N-METHYL-

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.760
Molar Refractivity: 160.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4200.65
ACD/KOC (pH 5.5): 13650.98
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4200.65
ACD/KOC (pH 7.4): 13650.98
Polar Surface Area: 78 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 390.2±7.0 cm3

Click to predict properties on the Chemicalize site


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