AC1MIC5B

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

Also Known As: 1-(2-Bromo-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine dimethanesulfonate|Piperazine, 1-(2-bromo-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate|1-(3-bromo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine; methanesulfonic acid|Methanesulfonic acid--1-(2-bromo-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (2/1)

Molecular Formula	C21H29BrN2O6S3
Molecular Weight	580.0371 g/mol
LogP	3.4529
Topological Polar Surface Area	115.22 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	1
Exact Mass	580.0371
Monoisotopic Mass	580.0371
Heavy Atoms	33
Complexity	1104.34

Chemical Identifiers

CAS Number	58722-64-8
SMILES	CN1CCN(CC1)C2CC3=C(C=CC(=C3)Br)SC4=CC=CC=C24.CS(=O)(=O)O.CS(=O)(=O)O