ChemSpider 2D Image | 1-[(2R,3S)-4-{Cyclopropyl[3-(4-fluorophenyl)propyl]amino}-3-hydroxy-2-butanyl]-3-[3-(1-methyl-1H-tetrazol-5-yl)phenyl]urea | C25H32FN7O2

1-[(2R,3S)-4-{Cyclopropyl[3-(4-fluorophenyl)propyl]amino}-3-hydroxy-2-butanyl]-3-[3-(1-methyl-1H-tetrazol-5-yl)phenyl]urea

  • Molecular FormulaC25H32FN7O2
  • Average mass481.566 Da
  • Monoisotopic mass481.260162 Da
  • ChemSpider ID23313257

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(2R,3S)-4-{Cyclopropyl[3-(4-fluorophenyl)propyl]amino}-3-hydroxy-2-butanyl]-3-[3-(1-methyl-1H-tetrazol-5-yl)phenyl]urea [ACD/IUPAC Name]
1-[(2R,3S)-4-{Cyclopropyl[3-(4-fluorophényl)propyl]amino}-3-hydroxy-2-butanyl]-3-[3-(1-méthyl-1H-tétrazol-5-yl)phényl]urée [French] [ACD/IUPAC Name]
1-[(2R,3S)-4-{cyclopropyl[3-(4-fluorophenyl)propyl]amino}-3-hydroxybutan-2-yl]-3-[3-(1-methyl-1H-tetrazol-5-yl)phenyl]urea
1-[(2R,3S)-4-{Cyclopropyl[3-(4-fluorphenyl)propyl]amino}-3-hydroxy-2-butanyl]-3-[3-(1-methyl-1H-tetrazol-5-yl)phenyl]harnstoff [German] [ACD/IUPAC Name]
Urea, N-[(1R,2S)-3-[cyclopropyl[3-(4-fluorophenyl)propyl]amino]-2-hydroxy-1-methylpropyl]-N'-[3-(1-methyl-1H-tetrazol-5-yl)phenyl]- [ACD/Index Name]
1-((2R,3S)-4-(cyclopropyl(3-(4-fluorophenyl)propyl)amino)-3-hydroxybutan-2-yl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea
CHEMBL400378
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL400378/

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: 1.651
Molar Refractivity: 132.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.84
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 24.46
ACD/KOC (pH 7.4): 239.34
Polar Surface Area: 108 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 361.4±7.0 cm3

Click to predict properties on the Chemicalize site


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