2-(4-Fluorophenyl)-2H-1,4-benzothiazin-3(4H)-one

HCID 13690761CAS 100638-27-5
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Basic information

Standard SMILES
O=C1Nc2ccccc2SC1c1ccc(F)cc1
InChIKey
DTRYUBNNSCCBKM-UHFFFAOYSA-N
Molecular formula
C14H10FNOS
Average molar mass
259.3 g/mol
Monoisotopic mass
259.04671316

Names & identifiers

Preferred name
2-(4-Fluorophenyl)-2H-1,4-benzothiazin-3(4H)-one
IUPAC
2-(4-fluorophenyl)-4H-1,4-benzothiazin-3-one

Names & synonyms

2-(4-Fluorophenyl)-2H-1,4-benzothiazin-3(4H)-one100638-27-5SCHEMBL7278586DTRYUBNNSCCBKM-UHFFFAOYSA-NDTXSID9012371702-(4-fluorophenyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine

Database identifiers

CAS
100638-27-5
PubChem CID
13690761
DTXSID
DTXSID901237170
Nikkaji
J345.960H

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
18

Related reactions

7 records
New reaction record

Linked notes

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