2-(2-Chloro-6-benzothiazolyl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione
Basic information
- CAS
887581-60-4- Standard SMILES
O=C1C2=C(CCCC2)C(=O)N1c1ccc2nc(Cl)sc2c1- InChIKey
ZYJWPOHGCSBGLR-UHFFFAOYSA-N- Molecular formula
- C15H11ClN2O2S
- Average molar mass
- 318.8 g/mol
- Monoisotopic mass
- 318.0229765
Names & identifiers
- Preferred name
- 2-(2-Chloro-6-benzothiazolyl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-(2-chloro-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
Names & synonyms
DTXSID001143342AKOS015960952887581-60-42-(2-Chloro-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione2-(2-Chloro-6-benzothiazolyl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
887581-60-4- PubChem CID
- 24728643
- DTXSID
DTXSID001143342
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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