Basic information
- Standard SMILES
O=C(O)c1ccc2cnsc2c1Nc1ccc(C2CC2)cc1F- InChIKey
IWTUWLRCEMXQMG-UHFFFAOYSA-N- Molecular formula
- C17H13FN2O2S
- Average molar mass
- 328.4 g/mol
Names & identifiers
- Preferred name
- 7-((4-Cyclopropyl-2-fluorophenyl)amino)benzo[d]isothiazole-6-carboxylic acid
- IUPAC
- 7-(4-cyclopropyl-2-fluoroanilino)-1,2-benzothiazole-6-carboxylic acid
Names & synonyms
1203662-87-67-((4-Cyclopropyl-2-fluorophenyl)amino)benzo[d]isothiazole-6-carboxylic acid7-[(4-CYCLOPROPYL-2-FLUOROPHENYL)AMINO]-1,2-BENZOTHIAZOLE-6-CARBOXYLIC ACIDSCHEMBL2296616IWTUWLRCEMXQMG-UHFFFAOYSA-N7-((4-Cyclopropyl-2-fluorophenyl)amino)benzo[d]isothiazole-6-carboxylicacid7-(4-Cyclopropyl-2-fluoro-phenylamino)-benzo[d]isothiazole-6-carboxylic acid
Database identifiers
- PubChem CID
- 67353418
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 462
Related reactions
2 records
Compound notes
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