ChemSpider 2D Image | 6-CHLORO-1-(2-{[(5-CHLORO-1-BENZOTHIEN-3-YL)METHYL]AMINO}ETHYL)-3-[(2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL | C22H31Cl2N5OS

6-CHLORO-1-(2-{[(5-CHLORO-1-BENZOTHIEN-3-YL)METHYL]AMINO}ETHYL)-3-[(2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL

  • Molecular FormulaC22H31Cl2N5OS
  • Average mass484.485 Da
  • Monoisotopic mass483.162628 Da
  • ChemSpider ID25060750

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,6S)-6-Chlor-1-(2-{[(5-chlor-1-benzothiophen-3-yl)methyl]amino}ethyl)-3-({2-[(2S)-2-piperidinyl]ethyl}amino)-1,2,5,6-tetrahydro-2-pyrazinol [German] [ACD/IUPAC Name]
(2S,6S)-6-Chloro-1-(2-{[(5-chloro-1-benzothiophen-3-yl)methyl]amino}ethyl)-3-({2-[(2S)-2-piperidinyl]ethyl}amino)-1,2,5,6-tetrahydro-2-pyrazinol [ACD/IUPAC Name]
(2S,6S)-6-Chloro-1-(2-{[(5-chloro-1-benzothiophén-3-yl)méthyl]amino}éthyl)-3-({2-[(2S)-2-pipéridinyl]éthyl}amino)-1,2,5,6-tétrahydro-2-pyrazinol [French] [ACD/IUPAC Name]
2-Pyrazinol, 6-chloro-1-[2-[[(5-chlorobenzo[b]thien-3-yl)methyl]amino]ethyl]-1,2,5,6-tetrahydro-3-[[2-[(2S)-2-piperidinyl]ethyl]amino]-, (2S,6S)- [ACD/Index Name]
6-CHLORO-1-(2-{[(5-CHLORO-1-BENZOTHIEN-3-YL)METHYL]AMINO}ETHYL)-3-[(2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL
(2S,6S)-6-chloro-1-(2-{[(5-chloro-1-benzothiophen-3-yl)methyl]amino}ethyl)-3-({2-[(2S)-piperidin-2-yl]ethyl}amino)-1,2,5,6-tetrahydropyrazin-2-ol
(2S,6S)-6-chloro-1-(2-{[(5-chloro-1-benzothiophen-3-yl)methyl]amino}ethyl)-3-({2-[(2S)-piperidin-2-yl]ethyl}amino)-5,6-dihydro-2H-pyrazin-2-ol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 695.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 374.5±31.5 °C
Index of Refraction: 1.695
Molar Refractivity: 127.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 332.5±7.0 cm3

Click to predict properties on the Chemicalize site


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