ChemSpider 2D Image | S-444,823 | C25H33N3O4S

S-444,823

  • Molecular FormulaC25H33N3O4S
  • Average mass471.612 Da
  • Monoisotopic mass471.219177 Da
  • ChemSpider ID28501432

More details:






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

3-[2-({[1-(Cyclohexylmethyl)-2-oxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridin-3-yl]carbonyl}amino)-1,3-thiazol-4-yl]propanoic acid [ACD/IUPAC Name]
3-[2-({[1-(Cyclohexylmethyl)-2-oxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridin-3-yl]carbonyl}amino)-1,3-thiazol-4-yl]propansäure [German] [ACD/IUPAC Name]
4-Thiazolepropanoic acid, 2-[[[1-(cyclohexylmethyl)-1,2,5,6,7,8,9,10-octahydro-2-oxocycloocta[b]pyridin-3-yl]carbonyl]amino]- [ACD/Index Name]
Acide 3-[2-({[1-(cyclohexylméthyl)-2-oxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridin-3-yl]carbonyl}amino)-1,3-thiazol-4-yl]propanoïque [French] [ACD/IUPAC Name]
S-444,823 [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 127.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 64.68
ACD/KOC (pH 5.5): 293.81
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 363.7±5.0 cm3

Click to predict properties on the Chemicalize site





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