ChemSpider 2D Image | N-[(2R,3S,4S,6R)-17-Benzyl-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1~2,6~.0~7,28~.0~8,13~.0~15,19~.0~20,27~.0~21,26~]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylben zamide | C42H36N4O4

N-[(2R,3S,4S,6R)-17-Benzyl-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylben zamide

  • Molecular FormulaC42H36N4O4
  • Average mass660.760 Da
  • Monoisotopic mass660.273682 Da
  • ChemSpider ID163737

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Benzamide, N-[(6R,7S,8S,10R)-7,8,9,10,17,18-hexahydro-7-methoxy-6-methyl-16-oxo-17-(phenylmethyl)-6,10-epoxy-6H,16H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-8-yl]-N-methyl- [ACD/Index Name]
N-[(2R,3S,4S,6R)-17-Benzyl-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylben zamid [German] [ACD/IUPAC Name]
N-[(2R,3S,4S,6R)-17-Benzyl-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylben zamide [ACD/IUPAC Name]
N-[(2R,3S,4S,6R)-17-Benzyl-3-méthoxy-2-méthyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaén-4-yl]-N-méthylben zamide [French] [ACD/IUPAC Name]
121578-39-0 [RN]
Benzamide, N-(2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-1-oxo-2-(phenylmethyl)-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-, (9α,10β,11β,13α)-

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

Cgp 42700 [DBID]
Cgp-42700 [DBID]

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: 1.736
Molar Refractivity: 190.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 33394.61
ACD/KOC (pH 5.5): 60204.87
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 33394.61
ACD/KOC (pH 7.4): 60204.87
Polar Surface Area: 69 Å2
Polarizability: 75.7±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 475.4±7.0 cm3

Click to predict properties on the Chemicalize site


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