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AO-476/43417694 is available in 299 mg

Compound details
MDL #:		MFCD15782707
Formula:		C21 H22 F3 N5 S
Weight:		433.5
Chiral info:		Not available
Name:		1-[2-({5-(4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethyl]piperidine
SMILES:		FC(F)(F)c1cccc(c1)n2c(nnc2SCCN3CCCCC3)c4ccncc4
InChI^TM:		InChI=1S/C21H22F3N5S/c22-21(23,24)17-5-4-6-18(15-17)29-19(16-7-9-25-10-8-16)26-27-20(29)30-14-13-28-11-2-1-3-12-28/h4-10,15H,1-3,11-14H2
InChIKey^TM:		MTDSEXNAKAJSBZ-UHFFFAOYSA-N

Chemical properties calculations
LogP:	4.74	H-acceptors: 5
LogS:	-5.4
tPSA:	72.14 Å²	Rotatable bonds: 7

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