Found 1 result

Search term: ZZSBPGIGIUFJRA-AKIDMACVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(2S,3R,4R,6R,18S)-18-Hydroxy-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-meth ylbenzamide | C35H30N4O5

N-[(2S,3R,4R,6R,18S)-18-Hydroxy-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-meth ylbenzamide

  • Molecular FormulaC35H30N4O5
  • Average mass586.636 Da
  • Monoisotopic mass586.221619 Da
  • ChemSpider ID26352236

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Benzamide, N-[(6S,7R,8R,10R,18S)-7,8,9,10,17,18-hexahydro-18-hydroxy-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-[(2S,3R,4R,6R,18S)-18-Hydroxy-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-meth
 ylbenzamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4R,6R,18S)-18-Hydroxy-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-meth
 ylbenzamide [ACD/IUPAC Name]
N-[(2S,3R,4R,6R,18S)-18-Hydroxy-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-méth
 ylbenzamide [French] [ACD/IUPAC Name]
(S)-3-Hydroxy Midostaurin
945260-14-0 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1240703/

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: 1.783
Molar Refractivity: 161.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 348.50
ACD/KOC (pH 5.5): 2297.82
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 348.50
ACD/KOC (pH 7.4): 2297.79
Polar Surface Area: 98 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 63.8±7.0 dyne/cm
Molar Volume: 382.9±7.0 cm3

Click to predict properties on the Chemicalize site


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