(2Z)-N-(4-ethoxyphenyl)-3-ethyl-2-[(3-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
Basic information
- CAS
442872-90-4- Standard SMILES
CCOc1ccc(NC(=O)C2CC(=O)N(CC)C(=Nc3cccc(F)c3)S2)cc1- InChIKey
RLCAPVHOLGBQQZ-UHFFFAOYSA-N- Molecular formula
- C21H22FN3O3S
- Average molar mass
- 415.5 g/mol
Names & identifiers
- Preferred name
- (2Z)-N-(4-ethoxyphenyl)-3-ethyl-2-[(3-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
- IUPAC
- N-(4-ethoxyphenyl)-3-ethyl-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
- English name
- (2Z)-N-(4-ethoxyphenyl)-3-ethyl-2-[(3-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
- Molecular formula
- C21H22FN3O3S
- Molecular weight
- 415.48
Names & synonyms
(2Z)-N-(4-ethoxyphenyl)-3-ethyl-2-[(3-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide442872-90-4(Z)-N-(4-ethoxyphenyl)-3-ethyl-2-((3-fluorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamideN-(4-ethoxyphenyl)-3-ethyl-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamideSTK132217AKOS001755275AKOS022014670EU-0019428AG-205/15155029SR-01000534794SR-01000534794-1N-(4-ethoxyphenyl)-3-ethyl-2-[(3-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
Show more names
2H-1,3-Thiazine-6-carboxamide, N-(4-ethoxyphenyl)-3-ethyl-2-[(3-fluorophenyl)imino]tetrahydro-4-oxo-
Database identifiers
- CAS
442872-90-4
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 610
Physicochemical properties
- Density
- 1.291 · 1.291±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.964 · 11.964±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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