Chemical Properties of perlapine (CAS 1977-11-3)

InChI

InChI=1S/C19H21N3/c1-21-10-12-22(13-11-21)19-17-8-4-2-6-15(17)14-16-7-3-5-9-18(16)20-19/h2-9H,10-14H2,1H3

InChI Key

PWRPUAKXMQAFCJ-UHFFFAOYSA-N

Formula

C19H21N3

SMILES

CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1

Molecular Weight¹

291.39

CAS

1977-11-3

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.31		Crippen Calculated Property
logPoct/wat	2.917		Crippen Calculated Property
McVol	234.970	ml/mol	McGowan Calculated Property
Inp	[2421.00; 2421.00]
Inp	2421.00		NIST
Inp	2421.00		NIST

Similar Compounds

Find more compounds similar to perlapine.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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