Stk280096
Basic information
- CAS
5310-86-1- Standard SMILES
CCOC(=O)C1CCCn2c1nc1scc(-c3ccccc3)c1c2=O- InChIKey
QUPAGQFZSXKOBY-UHFFFAOYSA-N- Molecular formula
- C19H18N2O3S
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.10381361
Names & identifiers
- Preferred name
- Stk280096
- IUPAC
- ethyl 2-oxo-4-phenyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-10-carboxylate
Names & synonyms
STK2800965310-86-1DTXSID00385642RefChem:382163DTXCID10336665ethyl 4-oxo-3-phenyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-9-carboxylateCBMicro_016785Oprea1_424235Oprea1_614789CCG-5787AKOS000531014AKOS022021456
Show more names
BIM-0016806.P001AB00080054-01AH-262/34614039SR-01000510725SR-01000510725-1ethyl 2-oxo-4-phenyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-10-carboxylate
Database identifiers
- CAS
5310-86-1- PubChem CID
- 2840804
- DTXSID
DTXSID00385642
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 573
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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