Basic information
- Standard SMILES
COc1cc(C#N)ccc1N1CCOc2cc(S(=O)(=O)Nc3nccs3)c(F)cc21- InChIKey
SBPVURWDCDIEEE-UHFFFAOYSA-N- Molecular formula
- C19H15FN4O4S2
- Average molar mass
- 446.5 g/mol
Names & identifiers
- Preferred name
- 4-(4-Cyano-2-Methoxyphenyl)-6-Fluoro-N-(Thiazol-2-Yl)-3,4-Dihydro-2H-Benzo[B][1,4]Oxazine-7-Sulfonamide
- IUPAC
- 4-(4-cyano-2-methoxyphenyl)-6-fluoro-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
Names & synonyms
CHEMBL3920827SCHEMBL15201923SBPVURWDCDIEEE-UHFFFAOYSA-NBDBM231470US9346798, 2174-(4-Cyano-2-Methoxyphenyl)-6-Fluoro-N-(Thiazol-2-Yl)-3,4-Dihydro-2H-Benzo[B][1,4]Oxazine-7-Sulfonamide
Database identifiers
- PubChem CID
- 89761607
- ChEMBL
CHEMBL3920827
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 757
Related reactions
1 records
Compound notes
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