Basic information
- CAS
138746-83-5- Standard SMILES
CCCCCCC(C)OC(=O)CCn1c(=O)sc2ccccc21- InChIKey
XUYFLVUMCJHGRW-UHFFFAOYSA-N- Molecular formula
- C18H25NO3S
- Average molar mass
- 335.5 g/mol
- Monoisotopic mass
- 335.15551483
Names & identifiers
- Preferred name
- 3-(2-Oxo-benzothiazol-3-YL)-propionic acid 1-methyl-heptyl ester
- IUPAC
- octan-2-yl 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate
Names & synonyms
AKOS0243427263-(2-OXO-BENZOTHIAZOL-3-YL)-PROPIONIC ACID 1-METHYL-HEPTYL ESTER
Database identifiers
- CAS
138746-83-5- PubChem CID
- 3572296
- EC Number
- 161-804-6
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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