Found 87 results

Search term: MF = 'C_{36}H_{43}N_{3}O_{6}'
ChemSpider 2D Image | N-[(7S)-10-{[(2S,3R)-1-(3,4-Dihydro-2(1H)-isoquinolinyl)-3-methyl-1-oxo-2-pentanyl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide | C36H43N3O6

N-[(7S)-10-{[(2S,3R)-1-(3,4-Dihydro-2(1H)-isoquinolinyl)-3-methyl-1-oxo-2-pentanyl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

  • Molecular FormulaC36H43N3O6
  • Average mass613.743 Da
  • Monoisotopic mass613.315186 Da
  • ChemSpider ID35147308

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Acetamide, N-[(7S)-10-[[(1S,2R)-1-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-2-methylbutyl]amino]-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl]- [ACD/Index Name]
N-[(7S)-10-{[(2S,3R)-1-(3,4-Dihydro-2(1H)-isochinolinyl)-3-methyl-1-oxo-2-pentanyl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamid [German] [ACD/IUPAC Name]
N-[(7S)-10-{[(2S,3R)-1-(3,4-Dihydro-2(1H)-isoquinoléinyl)-3-méthyl-1-oxo-2-pentanyl]amino}-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-7-yl]acétamide [French] [ACD/IUPAC Name]
N-[(7S)-10-{[(2S,3R)-1-(3,4-Dihydro-2(1H)-isoquinolinyl)-3-methyl-1-oxo-2-pentanyl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide [ACD/IUPAC Name]
N-((S)-10-(((2S,3R)-1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-1-oxopentan-2-yl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 898.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.7±3.0 kJ/mol
Flash Point: 497.2±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 172.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 821.52
ACD/KOC (pH 5.5): 4245.05
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 821.52
ACD/KOC (pH 7.4): 4245.06
Polar Surface Area: 106 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 491.5±5.0 cm3

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