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AO-476/43417029 is available in 247 mg

Compound details
MDL #:		MFCD15782529
Formula:		C17 H18 N2 O3 S
Weight:		330.41
Chiral info:		Not available
Name:		methyl 2-[(4-toluidinocarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILES:		COC(=O)c3c1CCCc1sc3(NC(=O)Nc2ccc(C)cc2)
InChI^TM:		InChI=1S/C17H18N2O3S/c1-10-6-8-11(9-7-10)18-17(21)19-15-14(16(20)22-2)12-4-3-5-13(12)23-15/h6-9H,3-5H2,1-2H3,(H2,18,19,21)
InChIKey^TM:		QUQYDNBXUKOKTK-UHFFFAOYSA-N

Chemical properties calculations
LogP:	4.64	H-acceptors: 5
LogS:	-5.58	H-donors: 2
tPSA:	95.67 Å²	Rotatable bonds: 6

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