ChemSpider 2D Image | N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE | C22H23Cl2N5O2S

N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE

  • Molecular FormulaC22H23Cl2N5O2S
  • Average mass492.421 Da
  • Monoisotopic mass491.094940 Da
  • ChemSpider ID25061077
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1(2H)-Pyrazineacetamide, 6-chloro-N-[(5-chlorobenzo[b]thien-3-yl)methyl]-5,6-dihydro-2-hydroxy-3-[[2-(2-pyridinyl)ethyl]amino]-, (2S,6R)- [ACD/Index Name]
N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE
N-[(5-Chlor-1-benzothiophen-3-yl)methyl]-2-[(2R,6S)-2-chlor-6-hydroxy-5-{[2-(2-pyridinyl)ethyl]amino}-3,6-dihydro-1(2H)-pyrazinyl]acetamid [German] [ACD/IUPAC Name]
N-[(5-Chloro-1-benzothiophen-3-yl)methyl]-2-[(2R,6S)-2-chloro-6-hydroxy-5-{[2-(2-pyridinyl)ethyl]amino}-3,6-dihydro-1(2H)-pyrazinyl]acetamide [ACD/IUPAC Name]
N-[(5-Chloro-1-benzothiophén-3-yl)méthyl]-2-[(2R,6S)-2-chloro-6-hydroxy-5-{[2-(2-pyridinyl)éthyl]amino}-3,6-dihydro-1(2H)-pyrazinyl]acétamide [French] [ACD/IUPAC Name]
N-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-[(2R,6S)-2-chloro-6-hydroxy-5-{[2-(pyridin-2-yl)ethyl]amino}-1,2,3,6-tetrahydropyrazin-1-yl]acetamide
N-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-[(2S,6R)-6-chloro-2-hydroxy-3-{[2-(pyridin-2-yl)ethyl]amino}-5,6-dihydro-2H-pyrazin-1-yl]acetamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 799.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 437.2±32.9 °C
Index of Refraction: 1.709
Molar Refractivity: 128.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 5.12
ACD/KOC (pH 5.5): 32.27
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 169.54
ACD/KOC (pH 7.4): 1067.58
Polar Surface Area: 118 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 329.7±7.0 cm3

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