ChemSpider 2D Image | Nalpha-({1-[(1-Benzothiophen-2-ylcarbonyl)amino]cyclopentyl}carbonyl)-N-{2-[1-(tetrahydro-2H-pyran-4-ylmethyl)-4-piperidinyl]ethyl}-D-phenylalaninamide | C37H48N4O4S

Nα-({1-[(1-Benzothiophen-2-ylcarbonyl)amino]cyclopentyl}carbonyl)-N-{2-[1-(tetrahydro-2H-pyran-4-ylmethyl)-4-piperidinyl]ethyl}-D-phenylalaninamide

  • Molecular FormulaC37H48N4O4S
  • Average mass644.866 Da
  • Monoisotopic mass644.339600 Da
  • ChemSpider ID23289290

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzo[b]thiophene-2-carboxamide, N-[1-[[[(1R)-2-oxo-1-(phenylmethyl)-2-[[2-[1-[(tetrahydro-2H-pyran-4-yl)methyl]-4-piperidinyl]ethyl]amino]ethyl]amino]carbonyl]cyclopentyl]- [ACD/Index Name]
Nα-({1-[(1-Benzothiophen-2-ylcarbonyl)amino]cyclopentyl}carbonyl)-N-{2-[1-(tetrahydro-2H-pyran-4-ylmethyl)-4-piperidinyl]ethyl}-D-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-({1-[(1-Benzothiophen-2-ylcarbonyl)amino]cyclopentyl}carbonyl)-N-{2-[1-(tetrahydro-2H-pyran-4-ylmethyl)-4-piperidinyl]ethyl}-D-phenylalaninamide [ACD/IUPAC Name]
Nα-({1-[(1-Benzothiophén-2-ylcarbonyl)amino]cyclopentyl}carbonyl)-N-{2-[1-(tétrahydro-2H-pyran-4-ylméthyl)-4-pipéridinyl]éthyl}-D-phénylalaninamide [French] [ACD/IUPAC Name]
Nα-({1-[(1-benzothiophen-2-ylcarbonyl)amino]cyclopentyl}carbonyl)-N-{2-[1-(tetrahydro-2H-pyran-4-ylmethyl)piperidin-4-yl]ethyl}-D-phenylalaninamide
benzo[b]thiophene-2-carboxylic acid [1-(2-phenyl-1-(R)-{2-[1-(tetrahydro-pyran-4-ylmethyl)-piperidin-4-yl]-ethylcarbamoyl}-ethylcarbamoyl)-cyclopentyl]-amide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 919.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.8±3.0 kJ/mol
Flash Point: 509.7±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 184.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 7.84
ACD/KOC (pH 5.5): 20.91
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 98.11
ACD/KOC (pH 7.4): 261.83
Polar Surface Area: 128 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 517.0±5.0 cm3

Click to predict properties on the Chemicalize site


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