ChemSpider 2D Image | N-(5-Chloro-2-pyridinyl)-N'-[(3R,4S)-1-isobutyryl-3-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}-4-piperidinyl]ethanediamide | C24H30ClN7O4S

N-(5-Chloro-2-pyridinyl)-N'-[(3R,4S)-1-isobutyryl-3-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}-4-piperidinyl]ethanediamide

  • Molecular FormulaC24H30ClN7O4S
  • Average mass548.057 Da
  • Monoisotopic mass547.176880 Da
  • ChemSpider ID10139836

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Ethanediamide, N1-(5-chloro-2-pyridinyl)-N2-[(3R,4S)-1-(2-methyl-1-oxopropyl)-3-[[(4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridin-2-yl)carbonyl]amino]-4-piperidinyl]- [ACD/Index Name]
N-(5-Chlor-2-pyridinyl)-N'-[(3R,4S)-1-isobutyryl-3-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}-4-piperidinyl]ethandiamid [German] [ACD/IUPAC Name]
N-(5-Chloro-2-pyridinyl)-N'-[(3R,4S)-1-isobutyryl-3-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}-4-piperidinyl]ethanediamide [ACD/IUPAC Name]
N-(5-Chloro-2-pyridinyl)-N'-[(3R,4S)-1-isobutyryl-3-{[(5-méthyl-4,5,6,7-tétrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}-4-pipéridinyl]éthanediamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.646
Molar Refractivity: 139.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.11
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 6.93
ACD/KOC (pH 7.4): 133.26
Polar Surface Area: 165 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 73.3±5.0 dyne/cm
Molar Volume: 383.2±5.0 cm3

Click to predict properties on the Chemicalize site


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