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AN-465/43411543 is available in 274 mg

Compound details
MDL #:		MFCD07612127
Formula:		C16 H17 N O2 S
Weight:		287.38
Chiral info:		Not available
Name:		4-methyl-3-{[4-(methylsulfanyl)benzyl]amino}benzoic acid
SMILES:		Cc2ccc(cc2(NCc1ccc(cc1)SC))C(=O)O
InChI^TM:		InChI=1S/C16H17NO2S/c1-11-3-6-13(16(18)19)9-15(11)17-10-12-4-7-14(20-2)8-5-12/h3-9,17H,10H2,1-2H3,(H,18,19)
InChIKey^TM:		OEDDXEIJYRUVJB-UHFFFAOYSA-N

Chemical properties calculations
LogP:	4.06	H-acceptors: 3
LogS:	-4.76	H-donors: 2
tPSA:	74.63 Å²	Rotatable bonds: 5

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