ChemSpider 2D Image | N~2~-{[5-(3,4-Dimethoxyphenyl)-2H-tetrazol-2-yl]acetyl}-N~2~-(4-fluorobenzyl)-N-(3-methylbutyl)alaninamide | C26H33FN6O4

N2-{[5-(3,4-Dimethoxyphenyl)-2H-tetrazol-2-yl]acetyl}-N2-(4-fluorobenzyl)-N-(3-methylbutyl)alaninamide

  • Molecular FormulaC26H33FN6O4
  • Average mass512.576 Da
  • Monoisotopic mass512.254761 Da
  • ChemSpider ID2430562

More details:

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

2H-Tetrazole-2-acetamide, 5-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-N-[1-methyl-2-[(3-methylbutyl)amino]-2-oxoethyl]- [ACD/Index Name]
N2-{[5-(3,4-Dimethoxyphenyl)-2H-tetrazol-2-yl]acetyl}-N2-(4-fluorbenzyl)-N-(3-methylbutyl)alaninamid [German] [ACD/IUPAC Name]
N2-{[5-(3,4-Dimethoxyphenyl)-2H-tetrazol-2-yl]acetyl}-N2-(4-fluorobenzyl)-N-(3-methylbutyl)alaninamide [ACD/IUPAC Name]
N2-{2-[5-(3,4-Diméthoxyphényl)-2H-tétrazol-2-yl]acétyl}-N2-(4-fluorobenzyl)-N-(3-méthylbutyl)alaninamide [French] [ACD/IUPAC Name]

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

ASN 03863541 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.587
Molar Refractivity: 138.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 145.76
ACD/KOC (pH 5.5): 1231.26
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 145.76
ACD/KOC (pH 7.4): 1231.26
Polar Surface Area: 111 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 411.5±7.0 cm3

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