ChemSpider 2D Image | N-(5-Chloro-2-pyridinyl)-N'-[(4Z)-4-[(dimethylamino)(hydroxy)methylene]-2-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}cyclohexyl]ethanediamide | C24H30ClN7O4S

N-(5-Chloro-2-pyridinyl)-N'-[(4Z)-4-[(dimethylamino)(hydroxy)methylene]-2-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}cyclohexyl]ethanediamide

  • Molecular FormulaC24H30ClN7O4S
  • Average mass548.057 Da
  • Monoisotopic mass547.176880 Da
  • ChemSpider ID95626857

More details:






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

Ethanediamide, N1-(5-chloro-2-pyridinyl)-N2-[(4Z)-4-[(dimethylamino)hydroxymethylene]-2-[[(4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridin-2-yl)carbonyl]amino]cyclohexyl]- [ACD/Index Name]
N-(5-Chlor-2-pyridinyl)-N'-[(4Z)-4-[(dimethylamino)(hydroxy)methylen]-2-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}cyclohexyl]ethandiamid [German] [ACD/IUPAC Name]
N-(5-Chloro-2-pyridinyl)-N'-[(4Z)-4-[(dimethylamino)(hydroxy)methylene]-2-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}cyclohexyl]ethanediamide [ACD/IUPAC Name]
N-(5-Chloro-2-pyridinyl)-N'-[(4Z)-4-[(diméthylamino)(hydroxy)méthylène]-2-{[(5-méthyl-4,5,6,7-tétrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}cyclohexyl]éthanediamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 140.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.75
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.10
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.17
ACD/KOC (pH 7.4): 198.71
Polar Surface Area: 168 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 77.3±5.0 dyne/cm
Molar Volume: 376.0±5.0 cm3

Click to predict properties on the Chemicalize site






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