ChemSpider 2D Image | 3-(1-Benzothiophen-3-yl)-N-(3-piperidinylcarbonyl)-D-alanyl-D-tryptophyl-N-(4-carbamoyl-4-piperidinyl)-L-phenylalaninamide | C43H50N8O5S

3-(1-Benzothiophen-3-yl)-N-(3-piperidinylcarbonyl)-D-alanyl-D-tryptophyl-N-(4-carbamoyl-4-piperidinyl)-L-phenylalaninamide

  • Molecular FormulaC43H50N8O5S
  • Average mass790.973 Da
  • Monoisotopic mass790.362488 Da
  • ChemSpider ID67169351

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

3-(1-Benzothiophen-3-yl)-N-(3-piperidinylcarbonyl)-D-alanyl-D-tryptophyl-N-(4-carbamoyl-4-piperidinyl)-L-phenylalaninamid [German] [ACD/IUPAC Name]
3-(1-Benzothiophen-3-yl)-N-(3-piperidinylcarbonyl)-D-alanyl-D-tryptophyl-N-(4-carbamoyl-4-piperidinyl)-L-phenylalaninamide [ACD/IUPAC Name]
3-(1-Benzothiophén-3-yl)-N-(3-pipéridinylcarbonyl)-D-alanyl-D-tryptophyl-N-(4-carbamoyl-4-pipéridinyl)-L-phénylalaninamide [French] [ACD/IUPAC Name]
L-Phenylalaninamide, 3-benzo[b]thien-3-yl-N-(3-piperidinylcarbonyl)-D-alanyl-D-tryptophyl-N-[4-(aminocarbonyl)-4-piperidinyl]- [ACD/Index Name]
661472-41-9 [RN]
Relamorelin [INN] [USAN] [Wiki]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1216.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 181.4±3.0 kJ/mol
Flash Point: 689.3±34.3 °C
Index of Refraction: 1.692
Molar Refractivity: 222.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 4
ACD/LogP: 5.26
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 88.2±0.5 10-24cm3
Surface Tension: 73.7±5.0 dyne/cm
Molar Volume: 581.2±5.0 cm3

Click to predict properties on the Chemicalize site


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