ChemSpider 2D Image | 1-({(3R)-1-[3-(4-Fluorophenyl)propyl]-3-piperidinyl}methyl)-3-[3-(1-methyl-1H-tetrazol-5-yl)phenyl]urea | C24H30FN7O

1-({(3R)-1-[3-(4-Fluorophenyl)propyl]-3-piperidinyl}methyl)-3-[3-(1-methyl-1H-tetrazol-5-yl)phenyl]urea

  • Molecular FormulaC24H30FN7O
  • Average mass451.540 Da
  • Monoisotopic mass451.249573 Da
  • ChemSpider ID23246890

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-({(3R)-1-[3-(4-Fluorophenyl)propyl]-3-piperidinyl}methyl)-3-[3-(1-methyl-1H-tetrazol-5-yl)phenyl]urea [ACD/IUPAC Name]
1-({(3R)-1-[3-(4-Fluorophényl)propyl]-3-pipéridinyl}méthyl)-3-[3-(1-méthyl-1H-tétrazol-5-yl)phényl]urée [French] [ACD/IUPAC Name]
1-({(3R)-1-[3-(4-fluorophenyl)propyl]piperidin-3-yl}methyl)-3-[3-(1-methyl-1H-tetrazol-5-yl)phenyl]urea
1-({(3R)-1-[3-(4-Fluorphenyl)propyl]-3-piperidinyl}methyl)-3-[3-(1-methyl-1H-tetrazol-5-yl)phenyl]harnstoff [German] [ACD/IUPAC Name]
Urea, N-[[(3R)-1-[3-(4-fluorophenyl)propyl]-3-piperidinyl]methyl]-N'-[3-(1-methyl-1H-tetrazol-5-yl)phenyl]- [ACD/Index Name]
1-{(R)-1-[3-(4-Fluoro-phenyl)-propyl]-piperidin-3-ylmethyl}-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
CHEMBL362613
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL362613/

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: 1.646
Molar Refractivity: 126.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.25
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 2.25
ACD/KOC (pH 7.4): 18.70
Polar Surface Area: 88 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 349.0±7.0 cm3

Click to predict properties on the Chemicalize site


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