Found 79 results

Search term: MF = 'C_{22}H_{20}FN_{3}S'
ChemSpider 2D Image | 1-(2-Fluorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carboline | C22H20FN3S

1-(2-Fluorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,9-tetrahydro-1H-β-carboline

  • Molecular FormulaC22H20FN3S
  • Average mass377.478 Da
  • Monoisotopic mass377.136200 Da
  • ChemSpider ID23063651

More details:

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

1-(2-Fluorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,9-tetrahydro-1H-β-carboline [ACD/IUPAC Name]
1-(2-Fluorophényl)-2-[(2-méthyl-1,3-thiazol-5-yl)méthyl]-2,3,4,9-tétrahydro-1H-β-carboline [French] [ACD/IUPAC Name]
1-(2-Fluorphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,9-tetrahydro-1H-β-carbolin [German] [ACD/IUPAC Name]
1H-Pyrido[3,4-b]indole, 1-(2-fluorophenyl)-2,3,4,9-tetrahydro-2-[(2-methyl-5-thiazolyl)methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 517.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 267.0±30.1 °C
Index of Refraction: 1.691
Molar Refractivity: 109.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 174.38
ACD/KOC (pH 5.5): 786.13
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1225.39
ACD/KOC (pH 7.4): 5524.21
Polar Surface Area: 60 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 285.4±3.0 cm3

Click to predict properties on the Chemicalize site


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