Chemical Properties of 2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cycloheptene (CAS 77117-76-1)

InChI

InChI=1S/C19H20N2O/c1-14(22)20-10-11-21-18-9-5-3-7-16(18)12-15-6-2-4-8-17(15)19(21)13-20/h2-9,19H,10-13H2,1H3

InChI Key

KLGVRKZVHNSAFM-UHFFFAOYSA-N

Formula

C19H20N2O

SMILES

CC(=O)N1CCN2c3ccccc3Cc3ccccc3C2C1

Molecular Weight¹

292.37

CAS

77117-76-1

Other Names

• Mianserin M(Nor), acetylated

• 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	-3.71		Crippen Calculated Property
logPoct/wat	3.001		Crippen Calculated Property
McVol	230.860	ml/mol	McGowan Calculated Property
Inp	[2595.00; 2595.00]
Inp	2595.00		NIST
Inp	2595.00		NIST

Similar Compounds

Find more compounds similar to 2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cycloheptene.

Sources

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

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