Compound C17H23BrN4O3S

3-carboxypropyl-(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)azanium bromide

CAS: 102688-90-4

Molecular Formula	`C17H23BrN4O3S`
Molecular Weight	443.4 g/mol
Topological Polar Surface Area	127.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	442.0674
Heavy Atoms	26
Complexity	590.0

Chemical Identifiers

CAS Number	102688-90-4
SMILES	`CC1(CC(=C2C(=NC3=C(N=CN=C3S2)OC)C1)[NH2+]CCCC(=O)O)C.[Br-]`
InChIKey	`WCGVXUQJUMBOFI-UHFFFAOYSA-N`

📖 Product Overview

Compound C17H23BrN4O3S (CAS: 102688-90-4) is a chemical compound with molecular formula C17H23BrN4O3S and molecular weight 443.4 g/mol. Its IUPAC systematic name is 3-carboxypropyl-(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)azanium bromide. Topological Polar Surface Area 127.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 6 Exact Mass 442.0674 Heavy Atoms 26 Complexity 590.0 InChI Key: WCGVXUQJUMBOFI-UHFFFAOYSA-N. SMILES: CC1(CC(=C2C(=NC3=C(N=CN=C3S2)OC)C1)[NH2+]CCCC(=O)O)C.[Br-].

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