Basic information
- Standard SMILES
COC(=O)c1cc2nsnc2c(F)c1Nc1ccccc1C- InChIKey
ZMWWWAHSLJTZRB-UHFFFAOYSA-N- Molecular formula
- C15H12FN3O2S
- Average molar mass
- 317.3 g/mol
Names & identifiers
- Preferred name
- Methyl 7-fluoro-6-(2-methyl-phenylamino)-benzo[1,2,5]thiadiazole-5-carboxylate
- IUPAC
- methyl 4-fluoro-5-(2-methylanilino)-2,1,3-benzothiadiazole-6-carboxylate
Names & synonyms
SCHEMBL5990143ZMWWWAHSLJTZRB-UHFFFAOYSA-Nmethyl 7-fluoro-6-(2-methyl-phenylamino)-benzo[1,2,5]thiadiazole-5-carboxylate
Database identifiers
- PubChem CID
- 69628136
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 414
Related reactions
2 records
Compound notes
Loading…