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AQ-088/42013694 is available in 138 mg

Compound details
MDL #:		MFCD04153237
Formula:		C32 H40 N8 O3 S2
Weight:		648.85
Chiral info:		Not available
Name:		N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-{[4,6-di(1-piperidinyl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
SMILES:		COc6ccc(CCNC(=O)CSc2nc1ccc(cc1s2)Nc3nc(nc(n3)N4CCCCC4)N5CCCCC5)cc6(OC)
InChI^TM:		InChI=1S/C32H40N8O3S2/c1-42-25-12-9-22(19-26(25)43-2)13-14-33-28(41)21-44-32-35-24-11-10-23(20-27(24)45-32)34-29-36-30(39-15-5-3-6-16-39)38-31(37-29)40-17-7-4-8-18-40/h9-12,19-20H,3-8,13-18,21H2,1-2H3,(H,33,41)(H,34,36,37,38)
InChIKey^TM:		UHWNBAWBSGYSFV-UHFFFAOYSA-N

Chemical properties calculations
LogP:	8.29	H-acceptors: 9
LogS:	-11.01	H-donors: 2
tPSA:	171.17 Å²	Rotatable bonds: 13

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