ChemSpider 2D Image | 1-[(1r)-1-(3-Methoxyphenyl)ethyl]-3-(4-Pyridin-4-Yl-1,3-Thiazol-2-Yl)urea | C18H18N4O2S

1-[(1r)-1-(3-Methoxyphenyl)ethyl]-3-(4-Pyridin-4-Yl-1,3-Thiazol-2-Yl)urea

  • Molecular FormulaC18H18N4O2S
  • Average mass354.426 Da
  • Monoisotopic mass354.115051 Da
  • ChemSpider ID34223869
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-[(1r)-1-(3-Methoxyphenyl)ethyl]-3-(4-Pyridin-4-Yl-1,3-Thiazol-2-Yl)urea
1-[(1R)-1-(3-Methoxyphenyl)ethyl]-3-[4-(4-pyridinyl)-1,3-thiazol-2-yl]harnstoff [German] [ACD/IUPAC Name]
1-[(1R)-1-(3-Methoxyphenyl)ethyl]-3-[4-(4-pyridinyl)-1,3-thiazol-2-yl]urea [ACD/IUPAC Name]
1-[(1R)-1-(3-Méthoxyphényl)éthyl]-3-[4-(4-pyridinyl)-1,3-thiazol-2-yl]urée [French] [ACD/IUPAC Name]
Urea, N-[(1R)-1-(3-methoxyphenyl)ethyl]-N'-[4-(4-pyridinyl)-2-thiazolyl]- [ACD/Index Name]
07Q

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: 1.641
Molar Refractivity: 99.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 59.51
ACD/KOC (pH 5.5): 619.20
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 5.31
ACD/KOC (pH 7.4): 55.22
Polar Surface Area: 104 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 274.5±3.0 cm3

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