Basic information
- Standard SMILES
CCOC(=O)C1=CNc2cccnc2S1- InChIKey
MDRMIABWTPJBPE-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2S
- Average molar mass
- 222.27 g/mol
- Monoisotopic mass
- 222.04629874
Names & identifiers
- Preferred name
- 3-Ethoxycarbonyl-1H-pyrido[2,3-b][1,4]-thiazine
- IUPAC
- ethyl 1H-pyrido[2,3-b][1,4]thiazine-3-carboxylate
Names & synonyms
SCHEMBL10525274MDRMIABWTPJBPE-UHFFFAOYSA-N3-Ethoxycarbonyl-1H-pyrido[2,3-b][1,4]-thiazine
Database identifiers
- PubChem CID
- 13799863
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 281
Related reactions
2 records
Compound notes
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