ChemSpider 2D Image | (3Z)-N-[(4E)-5-{4-[(5S)-5-(Acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl}-4-penten-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydro-5(2H)-pyrimidinylidene)propanamide | C25H28FN5O6

(3Z)-N-[(4E)-5-{4-[(5S)-5-(Acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl}-4-penten-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydro-5(2H)-pyrimidinylidene)propanamide

  • Molecular FormulaC25H28FN5O6
  • Average mass513.518 Da
  • Monoisotopic mass513.202332 Da
  • ChemSpider ID25061186

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propanamide
(3Z)-N-[(4E)-5-{4-[(5S)-5-(Acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl}-4-penten-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydro-5(2H)-pyrimidinylidene)propanamide [ACD/IUPAC Name]
(3Z)-N-[(4E)-5-{4-[(5S)-5-(Acétamidométhyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophényl}-4-pentén-1-yl]-3-(4-méthyl-2,6-dioxo-1,6-dihydro-5(2H)-pyrimidinylidène)propanamide [French] [ACD/IUPAC Name]
(3Z)-N-[(4E)-5-{4-[(5S)-5-(Acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorphenyl}-4-penten-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydro-5(2H)-pyrimidinyliden)propanamid [German] [ACD/IUPAC Name]
Propanamide, N-[(4E)-5-[4-[(5S)-5-[(acetylamino)methyl]-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-4-penten-1-yl]-3-(1,6-dihydro-4-methyl-2,6-dioxo-5(2H)-pyrimidinylidene)-, (3Z)- [ACD/Index 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: 1.623
Molar Refractivity: 131.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.04
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 48.94
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.39
ACD/KOC (pH 7.4): 42.18
Polar Surface Area: 146 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 372.6±7.0 cm3

Click to predict properties on the Chemicalize site


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