ChemSpider 2D Image | N-{[(4E)-4-[(3-Fluoro-4-isopropoxyphenyl)imino]-3-(4-methylbenzyl)-2,6-dioxo-1,3,5-triazinan-1-yl]acetyl}-D-alanine | C25H28FN5O6

N-{[(4E)-4-[(3-Fluoro-4-isopropoxyphenyl)imino]-3-(4-methylbenzyl)-2,6-dioxo-1,3,5-triazinan-1-yl]acetyl}-D-alanine

  • Molecular FormulaC25H28FN5O6
  • Average mass513.518 Da
  • Monoisotopic mass513.202332 Da
  • ChemSpider ID76798933

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Alanine, N-[2-[(4E)-4-[[3-fluoro-4-(1-methylethoxy)phenyl]imino]tetrahydro-3-[(4-methylphenyl)methyl]-2,6-dioxo-1,3,5-triazin-1(2H)-yl]acetyl]- [ACD/Index Name]
N-{[(4E)-4-[(3-Fluor-4-isopropoxyphenyl)imino]-3-(4-methylbenzyl)-2,6-dioxo-1,3,5-triazinan-1-yl]acetyl}-D-alanin [German] [ACD/IUPAC Name]
N-{[(4E)-4-[(3-Fluoro-4-isopropoxyphenyl)imino]-3-(4-methylbenzyl)-2,6-dioxo-1,3,5-triazinan-1-yl]acetyl}-D-alanine [ACD/IUPAC Name]
N-{2-[(4E)-4-[(3-Fluoro-4-isopropoxyphényl)imino]-3-(4-méthylbenzyl)-2,6-dioxo-1,3,5-triazinan-1-yl]acétyl}-D-alanine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.617
Molar Refractivity: 132.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.88
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.60
ACD/LogD (pH 7.4): -2.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 377.0±7.0 cm3

Click to predict properties on the Chemicalize site


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