ChemSpider 2D Image | N-[cis-3-(2-Methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine | C18H17N5OS

N-[cis-3-(2-Methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine

  • Molecular FormulaC18H17N5OS
  • Average mass351.426 Da
  • Monoisotopic mass351.115387 Da
  • ChemSpider ID34219793

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Benzothiazolamine, N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]- [ACD/Index Name]
N-[cis-3-(2-Methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amin [German] [ACD/IUPAC Name]
N-[cis-3-(2-Methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine [ACD/IUPAC Name]
N-[cis-3-(2-Méthoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine [French] [ACD/IUPAC Name]
1IR

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 562.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.8±32.9 °C
Index of Refraction: 1.798
Molar Refractivity: 97.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 33.82
ACD/KOC (pH 5.5): 261.89
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 186.41
ACD/KOC (pH 7.4): 1443.54
Polar Surface Area: 93 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 64.2±7.0 dyne/cm
Molar Volume: 229.5±7.0 cm3

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