ChemSpider 2D Image | N-[(5R,6S,7S,9S)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide | C35H30N4O4

N-[(5R,6S,7S,9S)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide

  • Molecular FormulaC35H30N4O4
  • Average mass570.637 Da
  • Monoisotopic mass570.226685 Da
  • ChemSpider ID21435595

  • 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,10S)-7,8,9,10,17,18-hexahydro-7-methoxy-6-methyl-16-oxo-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,6S)-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-methylbenzamid [German] [ACD/IUPAC Name]
N-[(2R,3S,4S,6S)-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-methylbenzamide [ACD/IUPAC Name]
N-[(2R,3S,4S,6S)-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-méthylbenzamide [French] [ACD/IUPAC Name]
N-[(5R,6S,7S,9S)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide
[120685-11-2] [RN]
3-methoxy-2-methyl-4-methyl(phenyl)carboxamido-16-oxo-(2R,3S,4S,6S)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21(26),22,24,27-nonaene
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-
benzoylstaurosporine
cid_24202429
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PKC 412 [DBID]
PKC-412 [DBID]

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: 1.770
Molar Refractivity: 160.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2586.57
ACD/KOC (pH 5.5): 9647.70
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2586.57
ACD/KOC (pH 7.4): 9647.71
Polar Surface Area: 78 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 385.7±7.0 cm3

Click to predict properties on the Chemicalize site


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