1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(diethylamino)ethyl)-, 5,5-dioxide

HCID 3079880

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Basic information

CAS: 126598-43-4
Standard SMILES: CCN(CC)CCn1ncc2c(c1=O)Nc1ccccc1S2(=O)=O
InChIKey: NXPLGHNAKFUNKR-UHFFFAOYSA-N
Molecular formula: C16H20N4O3S
Average molar mass: 348.4 g/mol
Monoisotopic mass: 348.12561169

Names & identifiers

Preferred name: 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(diethylamino)ethyl)-, 5,5-dioxide
IUPAC: 2-[2-(diethylamino)ethyl]-5,5-dioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-1-one

Names & synonyms

126598-43-41H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-2-(2-(diethylamino)ethyl)-, 5,5-dioxideRefChem:240133DTXSID109256192-[2-(Diethylamino)ethyl]-2,3-dihydro-5lambda~6~-pyridazino[4,5-b][1,4]benzothiazine-1,5,5-trione

Database identifiers

CAS: 126598-43-4
PubChem CID: 3079880
DTXSID: DTXSID10925619

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 90.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 661

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