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AK-968/37044038 is available in 269 mg

Compound details
MDL #:		MFCD01049142
Formula:		C18 H17 N O2 S
Weight:		311.4
Chiral info:		Not available
Name:		4-[(5-butyl-2-thienyl)methylene]-3-phenyl-5(4H)-isoxazolone
SMILES:		CCCCc3ccc(C=C2C(=O)ON=C2(c1ccccc1))s3
InChI^TM:		InChI=1S/C18H17NO2S/c1-2-3-9-14-10-11-15(22-14)12-16-17(19-21-18(16)20)13-7-5-4-6-8-13/h4-8,10-12H,2-3,9H2,1H3
InChIKey^TM:		BQFOFECRZIVUKU-UHFFFAOYSA-N

Chemical properties calculations
LogP:	5.56	H-acceptors: 1
LogS:	-6.22
tPSA:	66.9 Å²	Rotatable bonds: 5

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