Found 16 results

Search term: MF = 'C_{41}H_{39}N_{7}O_{4}'
ChemSpider 2D Image | (6S,9aS)-2-Allyl-N-benzyl-8-{[3-(4-cyanophenyl)-1-methyl-1H-indol-7-yl]methyl}-6-(4-hydroxybenzyl)-4,7-dioxohexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide | C41H39N7O4

(6S,9aS)-2-Allyl-N-benzyl-8-{[3-(4-cyanophenyl)-1-methyl-1H-indol-7-yl]methyl}-6-(4-hydroxybenzyl)-4,7-dioxohexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide

  • Molecular FormulaC41H39N7O4
  • Average mass693.793 Da
  • Monoisotopic mass693.306335 Da
  • ChemSpider ID58891505

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6S,9aS)-2-Allyl-N-benzyl-8-{[3-(4-cyanophenyl)-1-methyl-1H-indol-7-yl]methyl}-6-(4-hydroxybenzyl)-4,7-dioxohexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide [ACD/IUPAC Name]
(6S,9aS)-2-Allyl-N-benzyl-8-{[3-(4-cyanophényl)-1-méthyl-1H-indol-7-yl]méthyl}-6-(4-hydroxybenzyl)-4,7-dioxohexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide [French] [ACD/IUPAC Name]
(6S,9aS)-2-Allyl-N-benzyl-8-{[3-(4-cyanphenyl)-1-methyl-1H-indol-7-yl]methyl}-6-(4-hydroxybenzyl)-4,7-dioxohexahydro-2H-pyrazino[2,1-c][1,2,4]triazin-1(6H)-carboxamid [German] [ACD/IUPAC Name]
2H-Pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide, 8-[[3-(4-cyanophenyl)-1-methyl-1H-indol-7-yl]methyl]hexahydro-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-N-(phenylmethyl)-2-(2-propen-1-yl)-, (6S,9aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 201.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 748.13
ACD/KOC (pH 5.5): 3969.99
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 745.71
ACD/KOC (pH 7.4): 3957.16
Polar Surface Area: 125 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 534.1±7.0 cm3

Click to predict properties on the Chemicalize site


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