ChemSpider 2D Image | Methyl 2-[(1-{[2-formamido-4-(methylsulfanyl)butanoyl]amino}-4-methyl-1-oxo-2-pentanyl)amino]-2-indanecarboxylate | C23H33N3O5S

Methyl 2-[(1-{[2-formamido-4-(methylsulfanyl)butanoyl]amino}-4-methyl-1-oxo-2-pentanyl)amino]-2-indanecarboxylate

  • Molecular FormulaC23H33N3O5S
  • Average mass463.590 Da
  • Monoisotopic mass463.214081 Da
  • ChemSpider ID28558011

More details:

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

1H-Indene-2-carboxylic acid, 2-[[1-[[[2-(formylamino)-4-(methylthio)-1-oxobutyl]amino]carbonyl]-3-methylbutyl]amino]-2,3-dihydro-, methyl ester [ACD/Index Name]
2-[(1-{[2-Formamido-4-(méthylsulfanyl)butanoyl]amino}-4-méthyl-1-oxo-2-pentanyl)amino]-2-indanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-[(1-{[2-formamido-4-(methylsulfanyl)butanoyl]amino}-4-methyl-1-oxo-2-pentanyl)amino]-2-indanecarboxylate [ACD/IUPAC Name]
Methyl-2-[(1-{[2-formamido-4-(methylsulfanyl)butanoyl]amino}-4-methyl-1-oxo-2-pentanyl)amino]-2-indancarboxylat [German] [ACD/IUPAC Name]
15585-26-9 [RN]
METHYL 2-{[(2S)-1-{[(2S)-2-(FORMYLAMINO)-4-(METHYLSULFANYL)BUTANOYL]AMINO}-4-METHYL-1-OXOPENTAN-2-YL]AMINO}-2,3-DIHYDRO-1H-INDENE-2-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 672.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.3±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 124.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.87
ACD/KOC (pH 5.5): 827.56
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.22
ACD/KOC (pH 7.4): 830.99
Polar Surface Area: 139 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 381.0±5.0 cm3

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