Basic information
- Standard SMILES
CCOC(=O)c1c(O)nc2sc3c(n2c1=O)CCN(c1ccc(C(F)(F)F)cn1)C3- InChIKey
GWBFYSJUKPTTEF-UHFFFAOYSA-N- Molecular formula
- C18H15F3N4O4S
- Average molar mass
- 440.4 g/mol
Names & identifiers
- Preferred name
- 2-hydroxy-4-oxo-7-(5-trifluoromethyl-pyridin-2-yl)-5,6,7,8-tetrahydro-4H-9-thia-1,4a,7-triaza-fluorene-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 11-hydroxy-13-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-8-thia-1,5,10-triazatricyclo[7.4.0.02,7]trideca-2(7),9,11-triene-12-carboxylate
Names & synonyms
2-hydroxy-4-oxo-7-(5-trifluoromethyl-pyridin-2-yl)-5,6,7,8-tetrahydro-4H-9-thia-1,4a,7-triaza-fluorene-3-carboxylic acid ethyl esterSCHEMBL1671098GWBFYSJUKPTTEF-UHFFFAOYSA-NWTBHGVIFPJHXGO-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 136337777
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 870
Related reactions
2 records
Compound notes
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