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AK-968/12287704 is available in 61 mg

Compound details
MDL #:		MFCD03759011
Formula:		C14 H15 N5 O4 S
Weight:		349.37
Chiral info:		Not available
Name:		N-[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-4-nitro-1-methyl-1H-pyrazole-3-carboxamide
SMILES:		Cn1cc(c(n1)C(=O)Nc3c(C(N)=O)c2CCCCc2s3)[N+](=O)[O-]
InChI^TM:		InChI=1S/C14H15N5O4S/c1-18-6-8(19(22)23)11(17-18)13(21)16-14-10(12(15)20)7-4-2-3-5-9(7)24-14/h6H,2-5H2,1H3,(H2,15,20)(H,16,21)
InChIKey^TM:		SZDROFNALUNKJA-UHFFFAOYSA-N

Chemical properties calculations
LogP:	2.3	H-acceptors: 6
LogS:	-4.1	H-donors: 2
tPSA:	161.39 Å²	Rotatable bonds: 5

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