ChemSpider 2D Image | (3Z,6S)-6-Chloro-1-(2-{[(5-chloro-1-benzothiophen-3-yl)methyl]amino}ethyl)-3-({2-[(2R)-2-piperidinyl]ethyl}imino)-2-piperazinol | C22H31Cl2N5OS

(3Z,6S)-6-Chloro-1-(2-{[(5-chloro-1-benzothiophen-3-yl)methyl]amino}ethyl)-3-({2-[(2R)-2-piperidinyl]ethyl}imino)-2-piperazinol

  • Molecular FormulaC22H31Cl2N5OS
  • Average mass484.485 Da
  • Monoisotopic mass483.162628 Da
  • ChemSpider ID64873351

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3Z,6S)-6-Chlor-1-(2-{[(5-chlor-1-benzothiophen-3-yl)methyl]amino}ethyl)-3-({2-[(2R)-2-piperidinyl]ethyl}imino)-2-piperazinol [German] [ACD/IUPAC Name]
(3Z,6S)-6-Chloro-1-(2-{[(5-chloro-1-benzothiophen-3-yl)methyl]amino}ethyl)-3-({2-[(2R)-2-piperidinyl]ethyl}imino)-2-piperazinol [ACD/IUPAC Name]
(3Z,6S)-6-Chloro-1-(2-{[(5-chloro-1-benzothiophén-3-yl)méthyl]amino}éthyl)-3-({2-[(2R)-2-pipéridinyl]éthyl}imino)-2-pipérazinol [French] [ACD/IUPAC Name]
2-Piperazinol, 6-chloro-1-[2-[[(5-chlorobenzo[b]thien-3-yl)methyl]amino]ethyl]-3-[[2-[(2R)-2-piperidinyl]ethyl]imino]-, (3Z,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

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: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.86
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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