6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-dioldihydrobromide

6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol;dihydrobromide

CAS: 60969-84-8

Molecular Formula	`C19H24Br2N2O2S`
Molecular Weight	504.3 g/mol
Topological Polar Surface Area	72.2 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	503.99048
Heavy Atoms	26
Complexity	430.0

Chemical Identifiers

CAS Number	60969-84-8
SMILES	`CN1CCN(CC1)C2CC3=CC(=C(C=C3SC4=CC=CC=C24)O)O.Br.Br`
InChIKey	`LEYVLSXJYHBPRM-UHFFFAOYSA-N`

📖 Product Overview

6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-dioldihydrobromide (CAS: 60969-84-8) is a chemical compound with molecular formula C19H24Br2N2O2S and molecular weight 504.3 g/mol. Its IUPAC systematic name is 6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol;dihydrobromide. Topological Polar Surface Area 72.2 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 5 Rotatable Bonds 1 Exact Mass 503.99048 Heavy Atoms 26 Complexity 430.0 InChI Key: LEYVLSXJYHBPRM-UHFFFAOYSA-N. SMILES: CN1CCN(CC1)C2CC3=CC(=C(C=C3SC4=CC=CC=C24)O)O.Br.Br.

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