ChemSpider 2D Image | N-[(1R)-2-(Cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorobenzyl)-2-[5-(4-methoxyphenyl)-2H-tetrazol-2-yl]acetamide | C30H30F2N6O3

N-[(1R)-2-(Cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorobenzyl)-2-[5-(4-methoxyphenyl)-2H-tetrazol-2-yl]acetamide

  • Molecular FormulaC30H30F2N6O3
  • Average mass560.594 Da
  • Monoisotopic mass560.234741 Da
  • ChemSpider ID980490

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2H-Tetrazole-2-acetamide, N-[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)- [ACD/Index Name]
N-[(1R)-2-(Cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorobenzyl)-2-[5-(4-methoxyphenyl)-2H-tetrazol-2-yl]acetamide [ACD/IUPAC Name]
N-[(1R)-2-(Cyclopentylamino)-1-(4-fluorophényl)-2-oxoéthyl]-N-(4-fluorobenzyl)-2-[5-(4-méthoxyphényl)-2H-tétrazol-2-yl]acétamide [French] [ACD/IUPAC Name]
N-[(1R)-2-(Cyclopentylamino)-1-(4-fluorphenyl)-2-oxoethyl]-N-(4-fluorbenzyl)-2-[5-(4-methoxyphenyl)-2H-tetrazol-2-yl]acetamid [German] [ACD/IUPAC Name]

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

ZINC00906446 [DBID]

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: 1.640
Molar Refractivity: 150.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 431.24
ACD/KOC (pH 5.5): 2676.29
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 431.24
ACD/KOC (pH 7.4): 2676.30
Polar Surface Area: 102 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 418.5±7.0 cm3

Click to predict properties on the Chemicalize site


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