Found 164 results

Search term: MF = 'C_{17}H_{18}FN_{3}S'
ChemSpider 2D Image | N-{[3-(4-Fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-(3-thienyl)-2-propanamine | C17H18FN3S

N-{[3-(4-Fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-(3-thienyl)-2-propanamine

  • Molecular FormulaC17H18FN3S
  • Average mass315.408 Da
  • Monoisotopic mass315.120544 Da
  • ChemSpider ID29640029

More details:

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

1H-Pyrazole-4-methanamine, 3-(4-fluorophenyl)-N-[1-methyl-2-(3-thienyl)ethyl]- [ACD/Index Name]
N-{[3-(4-Fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-(3-thienyl)-2-propanamine [ACD/IUPAC Name]
N-{[3-(4-Fluorophényl)-1H-pyrazol-4-yl]méthyl}-1-(3-thiényl)-2-propanamine [French] [ACD/IUPAC Name]
N-{[3-(4-Fluorphenyl)-1H-pyrazol-4-yl]methyl}-1-(3-thienyl)-2-propanamin [German] [ACD/IUPAC Name]
{[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]METHYL}[1-(THIOPHEN-3-YL)PROPAN-2-YL]AMINE
N-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-(3-thienyl)propan-2-amine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 512.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 263.7±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 88.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.28
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 24.93
ACD/KOC (pH 7.4): 148.98
Polar Surface Area: 69 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 255.7±3.0 cm3

Click to predict properties on the Chemicalize site


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