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AE-641/30149053 is available in 1108 mg

Compound details
MDL #:		MFCD01703532
Formula:		C21 H25 Cl N2 S
Weight:		372.96
Salt Data:		2 CH3SO3H
Chiral info:		Not available
Name:		1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-isopropylpiperazine
SMILES:		CC(C)N1CCN(CC1)C3Cc2ccccc2Sc4ccc(cc34)Cl
InChI^TM:		InChI=1S/C21H25ClN2S/c1-15(2)23-9-11-24(12-10-23)19-13-16-5-3-4-6-20(16)25-21-8-7-17(22)14-18(19)21/h3-8,14-15,19H,9-13H2,1-2H3
InChIKey^TM:		KZUYNEYIJRBPII-UHFFFAOYSA-N

Chemical properties calculations
LogP:	5.54	H-acceptors: 2
LogS:	-6.76
tPSA:	31.78 Å²	Rotatable bonds: 2

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