Found 5 results

Search term: MF = 'C_{37}H_{37}FN_{6}O_{5}'
ChemSpider 2D Image | 3-[(3R)-4-{[1-(3-Ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H-imidazol-4-yl]carbonyl}-3-{[(methylcarbamoyl)amino]methyl}-1-piperazinyl]-1-naphthoic acid | C37H37FN6O5

3-[(3R)-4-{[1-(3-Ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H-imidazol-4-yl]carbonyl}-3-{[(methylcarbamoyl)amino]methyl}-1-piperazinyl]-1-naphthoic acid

  • Molecular FormulaC37H37FN6O5
  • Average mass664.725 Da
  • Monoisotopic mass664.280945 Da
  • ChemSpider ID23331161

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Naphthalenecarboxylic acid, 3-[(3R)-4-[[1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H-imidazol-4-yl]carbonyl]-3-[[[(methylamino)carbonyl]amino]methyl]-1-piperazinyl]- [ACD/Index Name]
3-[(3R)-4-{[1-(3-Ethoxyphenyl)-2-(2-fluor-4-methylphenyl)-1H-imidazol-4-yl]carbonyl}-3-{[(methylcarbamoyl)amino]methyl}-1-piperazinyl]-1-naphthoesäure [German] [ACD/IUPAC Name]
3-[(3R)-4-{[1-(3-Ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H-imidazol-4-yl]carbonyl}-3-{[(methylcarbamoyl)amino]methyl}-1-piperazinyl]-1-naphthoic acid [ACD/IUPAC Name]
Acide 3-[(3R)-4-{[1-(3-éthoxyphényl)-2-(2-fluoro-4-méthylphényl)-1H-imidazol-4-yl]carbonyl}-3-{[(méthylcarbamoyl)amino]méthyl}-1-pipérazinyl]-1-naphtoïque [French] [ACD/IUPAC Name]
3-((R)-4-(1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H-imidazole-4-carbonyl)-3-((3-methylureido)methyl)piperazin-1-yl)-1-naphthoic acid
3-[(3R)-4-{[1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H-imidazol-4-yl]carbonyl}-3-{[(methylcarbamoyl)amino]methyl}piperazin-1-yl]naphthalene-1-carboxylic acid
CHEMBL507094

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: 1.656
Molar Refractivity: 182.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 74.72
ACD/KOC (pH 5.5): 279.24
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 2.77
ACD/KOC (pH 7.4): 10.35
Polar Surface Area: 129 Å2
Polarizability: 72.5±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 498.0±7.0 cm3

Click to predict properties on the Chemicalize site


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