AC1Q6WDX

1-(3-ethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid

Also Known As: KST-1B4805|8-Ethoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate|1-(8-ethoxy-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine methanesulfonate(1:2)|1-(10,11-Dihydro-8-ethoxydibenzo(b,f)thiepin-10-yl)-4-methylpiperazine dimethanesulfonate|Piperazine, 1-(10,11-dihydro-8-ethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate|1-(3-ethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; methanesulfonic acid|Methanesulfonic acid--1-(8-ethoxy-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (2/1)

Molecular Formula	C23H34N2O7S3
Molecular Weight	546.15283 g/mol
LogP	3.0891
Topological Polar Surface Area	167.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	3
Exact Mass	546.15283
Monoisotopic Mass	546.15283
Heavy Atoms	35
Complexity	519.0

Chemical Identifiers

CAS Number	52406-23-2
SMILES	CCOC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C.CS(=O)(=O)O.CS(=O)(=O)O
InChIKey	JOZHLWWBDMJDSB-UHFFFAOYSA-N