ChemSpider 2D Image | Methyl 2-[5-{[(6-amino-2-methyl-3-pyridinyl)methyl]carbamoyl}-1,3-dioxo-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl]-3-(cyclohexylsulfanyl)propanoate | C24H32N6O5S

Methyl 2-[5-{[(6-amino-2-methyl-3-pyridinyl)methyl]carbamoyl}-1,3-dioxo-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl]-3-(cyclohexylsulfanyl)propanoate

  • Molecular FormulaC24H32N6O5S
  • Average mass516.613 Da
  • Monoisotopic mass516.215515 Da
  • ChemSpider ID23130064

More details:

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

1H-[1,2,4]Triazolo[1,2-a]pyridazine-2(3H)-acetic acid, 5-[[[(6-amino-2-methyl-3-pyridinyl)methyl]amino]carbonyl]-α-[(cyclohexylthio)methyl]-5,8-dihydro-1,3-dioxo-, methyl ester [ACD/Index Name]
2-[5-{[(6-Amino-2-méthyl-3-pyridinyl)méthyl]carbamoyl}-1,3-dioxo-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl]-3-(cyclohexylsulfanyl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-[5-{[(6-amino-2-methyl-3-pyridinyl)methyl]carbamoyl}-1,3-dioxo-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl]-3-(cyclohexylsulfanyl)propanoate [ACD/IUPAC Name]
methyl 2-[5-{[(6-amino-2-methylpyridin-3-yl)methyl]carbamoyl}-1,3-dioxo-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl]-3-(cyclohexylsulfanyl)propanoate
Methyl-2-[5-{[(6-amino-2-methyl-3-pyridinyl)methyl]carbamoyl}-1,3-dioxo-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-2(3H)-yl]-3-(cyclohexylsulfanyl)propanoat [German] [ACD/IUPAC Name]
2-{5-[(6-Amino-2-methyl-pyridin-3-ylmethyl)-carbamoyl]-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-2-yl}-3-cyclohexylsulfanyl-propionic acid methyl ester
CHEMBL32373

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: 1.657
Molar Refractivity: 135.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.56
ACD/KOC (pH 5.5): 27.11
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.58
ACD/KOC (pH 7.4): 184.15
Polar Surface Area: 163 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 74.2±5.0 dyne/cm
Molar Volume: 368.1±5.0 cm3

Click to predict properties on the Chemicalize site


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