Basic information
- Standard SMILES
COc1c(NC(=O)c2ccc(F)c(-n3cc(-c4cccnc4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O- InChIKey
AFPCWSNXFFZCEX-UHFFFAOYSA-N- Molecular formula
- C26H27FN6O4S
- Average molar mass
- 538.6 g/mol
Names & identifiers
- Preferred name
- N-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenyl)-4-fluoro-3-(4-pyridin-3-yl-[1,2,3]triazol-1-yl)-benzamide
- IUPAC
- N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-(4-pyridin-3-yltriazol-1-yl)benzamide
Names & synonyms
SCHEMBL302124AFPCWSNXFFZCEX-UHFFFAOYSA-NN-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenyl)-4-fluoro-3-(4-pyridin-3-yl-[1,2,3]triazol-1-yl)-benzamide
Database identifiers
- PubChem CID
- 21097184
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 912
Related reactions
3 records
Compound notes
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