4H-(1)Benzothiopyrano(4,3-c)isoxazole-3-carboxamide, N-(2-(dimethylamino)ethyl)-6-fluoro-

HCID 57790

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Basic information

CAS: 100333-48-0
Standard SMILES: CN(C)CCNC(=O)c1onc2c1CSc1c(F)cccc1-2
InChIKey: FTYLZKIQNSHEBK-UHFFFAOYSA-N
Molecular formula: C15H16FN3O2S
Average molar mass: 321.4 g/mol
Monoisotopic mass: 321.0947261

Names & identifiers

Preferred name: 4H-(1)Benzothiopyrano(4,3-c)isoxazole-3-carboxamide, N-(2-(dimethylamino)ethyl)-6-fluoro-
IUPAC: N-[2-(dimethylamino)ethyl]-6-fluoro-4H-thiochromeno[4,3-c][1,2]oxazole-3-carboxamide

Names & synonyms

4H-(1)Benzothiopyrano(4,3-c)isoxazole-3-carboxamide, N-(2-(dimethylamino)ethyl)-6-fluoro-100333-48-0DTXSID50143178N-(2-(Dimethylamino)ethyl)-6-fluoro-4H-(1)benzothiopyrano(4,3-c)isoxazole-3-carboxamideRefChem:296769DTXCID3065669N-[2-(Dimethylamino)ethyl]-6-fluoro-4H-[1]benzothiopyrano[4,3-c][1,2]oxazole-3-carboxamide

Database identifiers

CAS: 100333-48-0
PubChem CID: 57790
DTXSID: DTXSID50143178
Nikkaji: J342.192I

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 83.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 412

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