ChemSpider 2D Image | 1-Allyl-3-[4-(3-methylbutyl)-5-oxo-6-(3-pyridinyl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]urea | C20H23N5O2S

1-Allyl-3-[4-(3-methylbutyl)-5-oxo-6-(3-pyridinyl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]urea

  • Molecular FormulaC20H23N5O2S
  • Average mass397.494 Da
  • Monoisotopic mass397.157257 Da
  • ChemSpider ID31139209

More details:






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

1-[4-(3-Methylbutyl)-5-Oxo-6-(Pyridin-3-Yl)-4,5-Dihydro[1,3]thiazolo[5,4-B]pyridin-2-Yl]-3-Prop-2-En-1-Ylurea
1-Allyl-3-[4-(3-methylbutyl)-5-oxo-6-(3-pyridinyl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]harnstoff [German] [ACD/IUPAC Name]
1-Allyl-3-[4-(3-methylbutyl)-5-oxo-6-(3-pyridinyl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]urea [ACD/IUPAC Name]
1-Allyl-3-[4-(3-méthylbutyl)-5-oxo-6-(3-pyridinyl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]urée [French] [ACD/IUPAC Name]
Urea, N-[4,5-dihydro-4-(3-methylbutyl)-5-oxo-6-(3-pyridinyl)thiazolo[5,4-b]pyridin-2-yl]-N'-2-propen-1-yl- [ACD/Index Name]
10.1016/j.bmcl.2013.12.080
2B7

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: 1.627
Molar Refractivity: 110.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 53.40
ACD/KOC (pH 5.5): 447.83
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 2.58
ACD/KOC (pH 7.4): 21.65
Polar Surface Area: 115 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 312.7±3.0 cm3

Click to predict properties on the Chemicalize site






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