[N-acetyl-4-(1,3-benzothiazol-2-yl)anilino] acetate
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Basic information
- Standard SMILES
CC(=O)ON(C(C)=O)c1ccc(-c2nc3ccccc3s2)cc1- InChIKey
NIUPMRLCBYEXEE-UHFFFAOYSA-N- Molecular formula
- C17H14N2O3S
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.07251349
Names & identifiers
- Preferred name
- [N-acetyl-4-(1,3-benzothiazol-2-yl)anilino] acetate
- IUPAC
- [N-acetyl-4-(1,3-benzothiazol-2-yl)anilino] acetate
Names & synonyms
NSC699968CHEMBL135245NSC-699968NCI60_035857
Database identifiers
- PubChem CID
- 395430
- ChEMBL
CHEMBL135245- Nikkaji
- J1.205.565J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
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Compound notes
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