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AN-698/42116568 is available in 188 mg

Compound details
MDL #:		MFCD04090931
Formula:		C25 H31 N5 O2 S
Weight:		465.62
Chiral info:		Not available
Name:		N-[1-(5-{[2-(4-isopropylanilino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]benzamide
SMILES:		CC(C)c1ccc(cc1)NC(=O)CSc3nnc(C(NC(=O)c2ccccc2)C(C)C)n3(C)
InChI^TM:		InChI=1S/C25H31N5O2S/c1-16(2)18-11-13-20(14-12-18)26-21(31)15-33-25-29-28-23(30(25)5)22(17(3)4)27-24(32)19-9-7-6-8-10-19/h6-14,16-17,22H,15H2,1-5H3,(H,26,31)(H,27,32)
InChIKey^TM:		UHEFDRHMSIRKBM-UHFFFAOYSA-N

Chemical properties calculations
LogP:	4.9	H-acceptors: 7
LogS:	-6.78	H-donors: 2
tPSA:	114.21 Å²	Rotatable bonds: 11

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