5-(1,1-dioxothiazinan-2-yl)-N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
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Basic information
- Standard SMILES
CNC(=O)c1cc(F)ccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O- InChIKey
KBXRRIUYQIDSON-UHFFFAOYSA-N- Molecular formula
- C22H22FN5O5S
- Average molar mass
- 487.5 g/mol
- Monoisotopic mass
- 487.13256815
Names & identifiers
- Preferred name
- 5-(1,1-dioxothiazinan-2-yl)-N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
- IUPAC
- 5-(1,1-dioxothiazinan-2-yl)-N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
Names & synonyms
CHEMBL245719L-900564SCHEMBL4763498KBXRRIUYQIDSON-UHFFFAOYSA-NBDBM504774225-(1,1-dioxothiazinan-2-yl)-N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide1,6-Naphthyridine-7-carboxamide, N-[[4-fluoro-2-[(methylamino)carbonyl]phenyl]methyl]-8-hydroxy-5-(tetrahydro-1,1-dioxido-2H-1,2-thiazin-2-yl)-5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluoro-2-(methylcarbamoyl)benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-{4-fluoro-2-[(methylamino)carbonyl]benzyl}-8-hydroxy-1,6-naphthyridine-7-carboxamide606080-42-6
Database identifiers
- PubChem CID
- 3013396
- ChEMBL
CHEMBL245719
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 855
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Related reactions
3 records
Compound notes
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