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AK-968/12269005 is available in 105 mg

Compound details
MDL #:		MFCD01451933
Formula:		C16 H18 Cl N5 O4 S
Weight:		411.87
Chiral info:		Not available
Name:		2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILES:		CC2CCc3c(C(N)=O)c(NC(=O)Cn1nc(c(c1(C))Cl)[N+](=O)[O-])sc3(C2)
InChI^TM:		InChI=1S/C16H18ClN5O4S/c1-7-3-4-9-10(5-7)27-16(12(9)14(18)24)19-11(23)6-21-8(2)13(17)15(20-21)22(25)26/h7H,3-6H2,1-2H3,(H2,18,24)(H,19,23)
InChIKey^TM:		NVMLWVRPOKXNPC-UHFFFAOYSA-N

Chemical properties calculations
LogP:	3.45	H-acceptors: 6
LogS:	-5.54	H-donors: 2
tPSA:	161.39 Å²	Rotatable bonds: 6

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