Chemical Properties of 3-Butanoyloxymethylphenytoin

InChI

InChI=1S/C20H20N2O4/c1-2-9-17(23)26-14-22-18(24)20(21-19(22)25,15-10-5-3-6-11-15)16-12-7-4-8-13-16/h3-8,10-13H,2,9,14H2,1H3,(H,21,25)

InChI Key

UPQWMVAELITTGQ-UHFFFAOYSA-N

Formula

C20H20N2O4

SMILES

CCCC(=O)OCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O

Molecular Weight¹

352.39

Other Names

• [2,5-dioxo-4,4-di(phenyl)imidazolidin-1-yl]methyl butanoate

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	[-5.07; -4.83]
log10WS	-4.83		Aq. Sol...
log10WS	-5.07		Estimat...
logPoct/wat	2.783		Crippen Calculated Property
McVol	264.820	ml/mol	McGowan Calculated Property
Tfus	404.25	K	Aq. Sol...

Similar Compounds

Find more compounds similar to 3-Butanoyloxymethylphenytoin.

Sources

• Crippen Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method

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