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AE-848/11486097 is available in 15 mg

Compound details
MDL #:		MFCD01412774
Formula:		C21 H16 N4 O4 S
Weight:		420.45
Chiral info:		Not available
Name:		ethyl 4-{[2-cyano-2-(4-{4-nitrophenyl}-1,3-thiazol-2-yl)vinyl]amino}benzoate
SMILES:		CCOC(=O)c1ccc(cc1)NC=C(C#N)c2nc(cs2)c3ccc(cc3)[N+](=O)[O-]
InChI^TM:		InChI=1S/C21H16N4O4S/c1-2-29-21(26)15-3-7-17(8-4-15)23-12-16(11-22)20-24-19(13-30-20)14-5-9-18(10-6-14)25(27)28/h3-10,12-13,23H,2H2,1H3
InChIKey^TM:		RCCXRUXJGYTREA-UHFFFAOYSA-N

Chemical properties calculations
LogP:	3.99	H-acceptors: 5
LogS:	-6.33	H-donors: 1
tPSA:	146.39 Å²	Rotatable bonds: 8

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