ChemSpider 2D Image | 6-Methyl-N-[1-({(2S)-5-oxo-1-phenyl-5-[4-(tetrahydro-2H-pyran-4-ylmethyl)-1-piperazinyl]-2-pentanyl}carbamoyl)cyclopentyl]-1-benzothiophene-2-carboxamide | C37H48N4O4S

6-Methyl-N-[1-({(2S)-5-oxo-1-phenyl-5-[4-(tetrahydro-2H-pyran-4-ylmethyl)-1-piperazinyl]-2-pentanyl}carbamoyl)cyclopentyl]-1-benzothiophene-2-carboxamide

  • Molecular FormulaC37H48N4O4S
  • Average mass644.866 Da
  • Monoisotopic mass644.339600 Da
  • ChemSpider ID9574437

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

6-Methyl-N-[1-({(2S)-5-oxo-1-phenyl-5-[4-(tetrahydro-2H-pyran-4-ylmethyl)-1-piperazinyl]-2-pentanyl}carbamoyl)cyclopentyl]-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
6-Methyl-N-[1-({(2S)-5-oxo-1-phenyl-5-[4-(tetrahydro-2H-pyran-4-ylmethyl)-1-piperazinyl]-2-pentanyl}carbamoyl)cyclopentyl]-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
6-Méthyl-N-[1-({(2S)-5-oxo-1-phényl-5-[4-(tétrahydro-2H-pyran-4-ylméthyl)-1-pipérazinyl]-2-pentanyl}carbamoyl)cyclopentyl]-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxamide, 6-methyl-N-[1-[[[(1S)-4-oxo-1-(phenylmethyl)-4-[4-[(tetrahydro-2H-pyran-4-yl)methyl]-1-piperazinyl]butyl]amino]carbonyl]cyclopentyl]- [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: 905.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±3.0 kJ/mol
Flash Point: 501.4±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 184.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 504.15
ACD/KOC (pH 5.5): 1646.73
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3782.00
ACD/KOC (pH 7.4): 12353.21
Polar Surface Area: 119 Å2
Polarizability: 73.2±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 514.7±5.0 cm3

Click to predict properties on the Chemicalize site


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