Chemical Properties of Butaperazine (CAS 653-03-2)

InChI

InChI=1S/C24H31N3OS/c1-3-7-22(28)19-10-11-24-21(18-19)27(20-8-4-5-9-23(20)29-24)13-6-12-26-16-14-25(2)15-17-26/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3

InChI Key

DVLBYTMYSMAKHP-UHFFFAOYSA-N

Formula

C24H31N3OS

SMILES

CCCC(=O)c1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2

Molecular Weight¹

409.59

CAS

653-03-2

Other Names

• 1-Butanone, 1-[10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazin-2-yl]-
• 1-Butanone, 1-(10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazin-2-yl)-
• AHR-712
• Bayer 1362
• 3-n-Butyryl-10-(3'-N-methyl-piperazino-N'-propyl)phenothiazine
• Butyrylperazine
• Emerex
• Megalectil
• 1-(10-(3-(4-Methyl-1-piperazinyl)propyl)phenothiazin-2-yl)-1-butanone
• Randolectil
• Repoise
• Riker 595
• Tyrylen
• AHR-3000
• 2-Butyryl-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine
• Perazine, (1-oxobutyl)-

• 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	-5.30		Crippen Calculated Property
logPoct/wat	4.910		Crippen Calculated Property
McVol	327.640	ml/mol	McGowan Calculated Property
Inp	[3188.00; 3188.00]
Inp	3188.00		NIST
Inp	3188.00		NIST

Similar Compounds

Find more compounds similar to Butaperazine.

Sources

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

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