6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine

CAS: 1977-09-9

Molecular Formula	`C18H19N3S`
Molecular Weight	309.4 g/mol
LogP	3.0
Topological Polar Surface Area	44.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	1
Exact Mass	309.12997
Heavy Atoms	22
Complexity	417.0

Chemical Identifiers

CAS Number	1977-09-9
SMILES	`CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C42`
InChIKey	`SFMINLHQDVFHIR-UHFFFAOYSA-N`

📖 Product Overview

6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine (CAS: 1977-09-9) is a chemical compound with molecular formula C18H19N3S and molecular weight 309.4 g/mol. Its IUPAC systematic name is 6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine. LogP 3.0 Topological Polar Surface Area 44.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 1 Exact Mass 309.12997 Heavy Atoms 22 Complexity 417.0 InChI Key: SFMINLHQDVFHIR-UHFFFAOYSA-N. SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C42.

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