Chemical Properties of 3-Propanoyloxymethylphenytoin

InChI

InChI=1S/C19H18N2O4/c1-2-16(22)25-13-21-17(23)19(20-18(21)24,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,20,24)

InChI Key

FBQTWGHLMQUOQL-UHFFFAOYSA-N

Formula

C19H18N2O4

SMILES

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

Molecular Weight¹

338.36

Other Names

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

• 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	[-4.98; -4.91]
log10WS	-4.98		Aq. Sol...
log10WS	-4.91		Estimat...
logPoct/wat	2.393		Crippen Calculated Property
McVol	250.730	ml/mol	McGowan Calculated Property
Tfus	443.75	K	Aq. Sol...

Similar Compounds

Find more compounds similar to 3-Propanoyloxymethylphenytoin.

Sources

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

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