Ethyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate
Basic information
- CAS
69123-51-9- Standard SMILES
CCOC(=O)c1ccc(NC(=O)Nc2nc3ccccc3s2)cc1- InChIKey
OLIFTJJUOXIUJG-UHFFFAOYSA-N- Molecular formula
- C17H15N3O3S
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.08341252
Names & identifiers
- Preferred name
- Ethyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoate
- IUPAC
- ethyl 4-(1,3-benzothiazol-2-ylcarbamoylamino)benzoate
Names & synonyms
69123-51-9MLS003115609Ethyl 4-{[(1,3-benzothiazol-2-yl)carbamoyl]amino}benzoateNSC289362SCHEMBL4919348CHEMBL1864015DTXSID60314857AKOS001904300NSC-289362SMR001831181ethyl 4-[(1,3-benzothiazol-2-yl)carbamamido]benzoate
Database identifiers
- CAS
69123-51-9- PubChem CID
- 324317
- DTXSID
DTXSID60314857- ChEMBL
CHEMBL1864015
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 454
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Related reactions
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Compound notes
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