ChemSpider 2D Image | Nalpha-({1-[(1-Benzothiophen-2-ylcarbonyl)amino]cyclopentyl}carbonyl)-N-{3-[4-(4-morpholinyl)-1-piperidinyl]-3-oxopropyl}-D-phenylalaninamide | C36H45N5O5S

Nα-({1-[(1-Benzothiophen-2-ylcarbonyl)amino]cyclopentyl}carbonyl)-N-{3-[4-(4-morpholinyl)-1-piperidinyl]-3-oxopropyl}-D-phenylalaninamide

  • Molecular FormulaC36H45N5O5S
  • Average mass659.838 Da
  • Monoisotopic mass659.314148 Da
  • ChemSpider ID23289284

  • 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-[[3-[4-(4-morpholinyl)-1-piperidinyl]-3-oxopropyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]cyclopentyl]- [ACD/Index Name]
Nα-({1-[(1-Benzothiophen-2-ylcarbonyl)amino]cyclopentyl}carbonyl)-N-{3-[4-(4-morpholinyl)-1-piperidinyl]-3-oxopropyl}-D-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-({1-[(1-Benzothiophen-2-ylcarbonyl)amino]cyclopentyl}carbonyl)-N-{3-[4-(4-morpholinyl)-1-piperidinyl]-3-oxopropyl}-D-phenylalaninamide [ACD/IUPAC Name]
Nα-({1-[(1-Benzothiophén-2-ylcarbonyl)amino]cyclopentyl}carbonyl)-N-{3-[4-(4-morpholinyl)-1-pipéridinyl]-3-oxopropyl}-D-phénylalaninamide [French] [ACD/IUPAC Name]
Nα-({1-[(1-benzothiophen-2-ylcarbonyl)amino]cyclopentyl}carbonyl)-N-{3-[4-(morpholin-4-yl)piperidin-1-yl]-3-oxopropyl}-D-phenylalaninamide
benzo[b]thiophene-2-carboxylic acid (1-{1-(R)-[3-(4-morpholin-4-yl-piperidin-1-yl)-3-oxopropylcarbamoyl]-2-phenyl-ethylcarbamoyl}-cyclopentyl)-amide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL394350/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 982.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.4±3.0 kJ/mol
Flash Point: 548.0±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 183.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 12.55
ACD/KOC (pH 5.5): 78.38
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 296.88
ACD/KOC (pH 7.4): 1853.81
Polar Surface Area: 148 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 65.4±5.0 dyne/cm
Molar Volume: 503.2±5.0 cm3

Click to predict properties on the Chemicalize site


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