Basic information
- CAS
81960-12-5- Standard SMILES
CCCCN=c1sc2nc(C)c(C(=O)OCC)cc2c(=O)n1C- InChIKey
FHDILFXYRZIQLF-UHFFFAOYSA-N- Molecular formula
- C16H21N3O3S
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.13036271
Names & identifiers
- Preferred name
- 2H-Pyrido(3,2-e)(1,3)thiazine-6-carboxylic acid, 3,4-dihydro-2-(butylimino)-3,7-dimethyl-4-oxo-, ethyl ester
- IUPAC
- ethyl 2-butylimino-3,7-dimethyl-4-oxopyrido[3,2-e][1,3]thiazine-6-carboxylate
Names & synonyms
2H-Pyrido(3,2-e)(1,3)thiazine-6-carboxylic acid, 3,4-dihydro-2-(butylimino)-3,7-dimethyl-4-oxo-, ethyl ester81960-12-5
Database identifiers
- CAS
81960-12-5- PubChem CID
- 3067751
- Nikkaji
- J66.673D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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