ChemSpider 2D Image | 2-{[(5S)-4-Cyclohexyl-3-(2-thienylmethyl)-4,5-dihydro-1H-1,2,4-triazol-5-yl]sulfanyl}-N-[(1R,5R,7R)-1,7-dimethyl-4-oxo-1,2,3,4,5,7-hexahydrofuro[3,4-d]pyridazin-5-yl]acetamide | C23H32N6O3S2

2-{[(5S)-4-Cyclohexyl-3-(2-thienylmethyl)-4,5-dihydro-1H-1,2,4-triazol-5-yl]sulfanyl}-N-[(1R,5R,7R)-1,7-dimethyl-4-oxo-1,2,3,4,5,7-hexahydrofuro[3,4-d]pyridazin-5-yl]acetamide

  • Molecular FormulaC23H32N6O3S2
  • Average mass504.669 Da
  • Monoisotopic mass504.197723 Da
  • ChemSpider ID62570434
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

2-{[(5S)-4-Cyclohexyl-3-(2-thienylmethyl)-4,5-dihydro-1H-1,2,4-triazol-5-yl]sulfanyl}-N-[(1R,5R,7R)-1,7-dimethyl-4-oxo-1,2,3,4,5,7-hexahydrofuro[3,4-d]pyridazin-5-yl]acetamid [German] [ACD/IUPAC Name]
2-{[(5S)-4-Cyclohexyl-3-(2-thienylmethyl)-4,5-dihydro-1H-1,2,4-triazol-5-yl]sulfanyl}-N-[(1R,5R,7R)-1,7-dimethyl-4-oxo-1,2,3,4,5,7-hexahydrofuro[3,4-d]pyridazin-5-yl]acetamide [ACD/IUPAC Name]
2-{[(5S)-4-Cyclohexyl-3-(2-thiénylméthyl)-4,5-dihydro-1H-1,2,4-triazol-5-yl]sulfanyl}-N-[(1R,5R,7R)-1,7-diméthyl-4-oxo-1,2,3,4,5,7-hexahydrofuro[3,4-d]pyridazin-5-yl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[(5S)-4-cyclohexyl-4,5-dihydro-3-(2-thienylmethyl)-1H-1,2,4-triazol-5-yl]thio]-N-[(1R,5R,7R)-1,2,3,4,5,7-hexahydro-1,7-dimethyl-4-oxofuro[3,4-d]pyridazin-5-yl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.765
Molar Refractivity: 133.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.64
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 2.25
ACD/KOC (pH 7.4): 28.80
Polar Surface Area: 161 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 65.0±7.0 dyne/cm
Molar Volume: 322.5±7.0 cm3

Click to predict properties on the Chemicalize site






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