Compound C29H29Cl2N3O2S

3-[2-(6-chloro-4-ethoxycarbonylquinolin-2-yl)phenothiazin-10-yl]propyl-dimethylazanium chloride

CAS: 72170-37-7

Molecular Formula	`C29H29Cl2N3O2S`
Molecular Weight	554.5 g/mol
Topological Polar Surface Area	72.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	553.13574
Heavy Atoms	37
Complexity	741.0

Chemical Identifiers

CAS Number	72170-37-7
SMILES	`CCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC4=C(C=C3)SC5=CC=CC=C5N4CCC[NH+](C)C.[Cl-]`
InChIKey	`ULIIIBNEALCLHX-UHFFFAOYSA-N`

📖 Product Overview

Compound C29H29Cl2N3O2S (CAS: 72170-37-7) is a chemical compound with molecular formula C29H29Cl2N3O2S and molecular weight 554.5 g/mol. Its IUPAC systematic name is 3-[2-(6-chloro-4-ethoxycarbonylquinolin-2-yl)phenothiazin-10-yl]propyl-dimethylazanium chloride. Topological Polar Surface Area 72.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 8 Exact Mass 553.13574 Heavy Atoms 37 Complexity 741.0 InChI Key: ULIIIBNEALCLHX-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC4=C(C=C3)SC5=CC=CC=C5N4CCC[NH+](C)C.[Cl-].

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