ChemSpider 2D Image | N-[(7S)-10-({(2S)-1-[4-(2-Furoyl)-1-piperazinyl]-4-methyl-1-oxo-2-pentanyl}amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide | C36H44N4O8

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

  • Molecular FormulaC36H44N4O8
  • Average mass660.757 Da
  • Monoisotopic mass660.315918 Da
  • ChemSpider ID30718201
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Acetamide, N-[(7S)-10-[[(1S)-1-[[4-(2-furanylcarbonyl)-1-piperazinyl]carbonyl]-3-methylbutyl]amino]-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl]- [ACD/Index Name]
N-[(7S)-10-({(2S)-1-[4-(2-Furoyl)-1-piperazinyl]-4-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)-1-[4-(2-Furoyl)-1-piperazinyl]-4-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-[(7S)-10-({(2S)-1-[4-(2-Furoyl)-1-pipérazinyl]-4-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]
1574390-67-2 [RN]
MolPort-029-886-367
N-((S)-10-(((S)-1-(4-(furan-2-carbonyl)piperazin-1-yl)-4-methyl-1-oxopentan-2-yl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
N-[(7S)-10-[[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 941.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.1±3.0 kJ/mol
Flash Point: 523.3±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 177.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.37
ACD/KOC (pH 5.5): 446.81
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.37
ACD/KOC (pH 7.4): 446.81
Polar Surface Area: 140 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 509.5±5.0 cm3

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