ChemSpider 2D Image | Nalpha-({1-[(1-Benzothiophen-2-ylcarbonyl)(methyl)amino]cyclohexyl}carbonyl)-N-[3-(4-morpholinyl)propyl]-D-phenylalaninamide | C33H42N4O4S

Nα-({1-[(1-Benzothiophen-2-ylcarbonyl)(methyl)amino]cyclohexyl}carbonyl)-N-[3-(4-morpholinyl)propyl]-D-phenylalaninamide

  • Molecular FormulaC33H42N4O4S
  • Average mass590.776 Da
  • Monoisotopic mass590.292664 Da
  • ChemSpider ID23289220

  • 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-methyl-N-[1-[[[(1R)-2-[[3-(4-morpholinyl)propyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]cyclohexyl]- [ACD/Index Name]
Nα-({1-[(1-Benzothiophen-2-ylcarbonyl)(methyl)amino]cyclohexyl}carbonyl)-N-[3-(4-morpholinyl)propyl]-D-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-({1-[(1-Benzothiophen-2-ylcarbonyl)(methyl)amino]cyclohexyl}carbonyl)-N-[3-(4-morpholinyl)propyl]-D-phenylalaninamide [ACD/IUPAC Name]
Nα-({1-[(1-Benzothiophén-2-ylcarbonyl)(méthyl)amino]cyclohexyl}carbonyl)-N-[3-(4-morpholinyl)propyl]-D-phénylalaninamide [French] [ACD/IUPAC Name]
Nα-({1-[(1-benzothiophen-2-ylcarbonyl)(methyl)amino]cyclohexyl}carbonyl)-N-[3-(morpholin-4-yl)propyl]-D-phenylalaninamide
benzo[b]thiophene-2-carboxylic acid methyl-{1-[1-(3-morpholin-4-yl-propylcarbamoyl)-2-phenyl-ethylcarbamoyl]-cyclohexyl}-amide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL390174/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 864.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 476.3±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 168.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 24.15
ACD/KOC (pH 5.5): 116.43
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 675.17
ACD/KOC (pH 7.4): 3255.59
Polar Surface Area: 119 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 469.2±5.0 cm3

Click to predict properties on the Chemicalize site


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