Basic information
- CAS
4940-12-9- Standard SMILES
CCSc1cc(C(=O)OC)c2n(c1=O)CCCC2- InChIKey
UOUQFAXYLYLTFG-UHFFFAOYSA-N- Molecular formula
- C13H17NO3S
- Average molar mass
- 267.35 g/mol
- Monoisotopic mass
- 267.09291458
Names & identifiers
- Preferred name
- Methyl 7-(ethylsulfanyl)-6-oxo-1,3,4,6-tetrahydro-2h-quinolizine-9-carboxylate
- IUPAC
- methyl 3-ethylsulfanyl-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
Names & synonyms
NSC6979144940-12-9methyl 7-(ethylsulfanyl)-6-oxo-1,3,4,6-tetrahydro-2h-quinolizine-9-carboxylatemethyl 3-ethylsulfanyl-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylateCHEMBL1980271DTXSID60327866NSC-697914NCI60_034970Methyl 7-(ethylthio)-6-oxo-1,3,4,6-tetrahydro-2H-quinolizine-9-carboxylate
Database identifiers
- CAS
4940-12-9- PubChem CID
- 394438
- DTXSID
DTXSID60327866- ChEMBL
CHEMBL1980271
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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