AC1MIHV1

1-(2-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid

Also Known As: C21H26N2S.CH4O3S.1/2H2O|3-Ethyl-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate hemihydrate|C21-H26-N2-S.C-H4-O3-S.1/2H2-O|Piperazine, 1-(10,11-dihydro-7-ethyldibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate, hydrate (2:2:1)|N,N-Dimethyl-3-(3-ethyl-9H-thioxanthen-9-ylidene)-1-propanamine fumarate|1-(2-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine,methanesulfonic acid|1-(2-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; methanesulfonic acid|Methanesulfonic acid--1-(7-ethyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (1/1)

Molecular Formula	C22H30N2O3S2
Molecular Weight	434.1698 g/mol
LogP	3.7488
Topological Polar Surface Area	60.85 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	434.1698
Monoisotopic Mass	434.1698
Heavy Atoms	29
Complexity	930.8236

Chemical Identifiers

CAS Number	84964-85-2
SMILES	CCC1=CC2=C(C=C1)C(CC3=CC=CC=C3S2)N4CCN(CC4)C.CS(=O)(=O)O