2-(4-chlorophenyl)-4-(dimethylamino)acetyl-3,4-dihydro-2H-1,4-benzothiazine hydrochloride

HCID 19794236

Notes Reactions

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Basic information

Standard SMILES: CN(C)CC(=O)N1CC(c2ccc(Cl)cc2)Sc2ccccc21.Cl
InChIKey: NVGHAHYOQXCDTO-UHFFFAOYSA-N
Molecular formula: C18H20Cl2N2OS
Average molar mass: 383.3 g/mol

Names & identifiers

Preferred name: 2-(4-chlorophenyl)-4-(dimethylamino)acetyl-3,4-dihydro-2H-1,4-benzothiazine hydrochloride
IUPAC: 1-[2-(4-chlorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(dimethylamino)ethanone;hydrochloride

Names & synonyms

SCHEMBL7280663NVGHAHYOQXCDTO-UHFFFAOYSA-N2-(4-chlorophenyl)-4-(dimethylamino)acetyl-3,4-dihydro-2H-1,4-benzothiazine hydrochloride2-(4-chlorophenyl)-4-(dimethylamino)acetyl-3,4-dihyro-2H-1,4-benzothiazine hydrochloride

Database identifiers

PubChem CID: 19794236

Properties

Computed structural properties

Topological polar surface area: 48.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 412

Related reactions

3 records

New reaction record

HRID 5825As productuspto-grants-1993_09

HRID 1198437As productuspto-grants-1994_01

HRID 1439848As productuspto-grants-1996_03

Compound notes

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