ChemSpider 2D Image | 1-{3-[(3S)-3-(4-Fluorobenzyl)-1-piperidinyl]propyl}-3-[3-(hydroxymethyl)-5-(1-methyl-1H-tetrazol-5-yl)phenyl]urea | C25H32FN7O2

1-{3-[(3S)-3-(4-Fluorobenzyl)-1-piperidinyl]propyl}-3-[3-(hydroxymethyl)-5-(1-methyl-1H-tetrazol-5-yl)phenyl]urea

  • Molecular FormulaC25H32FN7O2
  • Average mass481.566 Da
  • Monoisotopic mass481.260162 Da
  • ChemSpider ID23139520

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{3-[(3S)-3-(4-Fluorbenzyl)-1-piperidinyl]propyl}-3-[3-(hydroxymethyl)-5-(1-methyl-1H-tetrazol-5-yl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-{3-[(3S)-3-(4-Fluorobenzyl)-1-piperidinyl]propyl}-3-[3-(hydroxymethyl)-5-(1-methyl-1H-tetrazol-5-yl)phenyl]urea [ACD/IUPAC Name]
1-{3-[(3S)-3-(4-Fluorobenzyl)-1-pipéridinyl]propyl}-3-[3-(hydroxyméthyl)-5-(1-méthyl-1H-tétrazol-5-yl)phényl]urée [French] [ACD/IUPAC Name]
Urea, N-[3-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidinyl]propyl]-N'-[3-(hydroxymethyl)-5-(1-methyl-1H-tetrazol-5-yl)phenyl]- [ACD/Index Name]
1-{3-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-3-[3-hydroxymethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
CHEMBL46747

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 132.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.01
Polar Surface Area: 108 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 362.2±7.0 cm3

Click to predict properties on the Chemicalize site


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