2-((2-Ethylsulfanyl-benzothiazol-6-ylamino)-methyl)-isoindole-1,3-dione
Basic information
- CAS
883791-31-9- Standard SMILES
CCSc1nc2ccc(NCN3C(=O)c4ccccc4C3=O)cc2s1- InChIKey
AAGYVXUAMXVFEW-UHFFFAOYSA-N- Molecular formula
- C18H15N3O2S2
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.06056908
Names & identifiers
- Preferred name
- 2-((2-Ethylsulfanyl-benzothiazol-6-ylamino)-methyl)-isoindole-1,3-dione
- IUPAC
- 2-[[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]isoindole-1,3-dione
Names & synonyms
AKOS0244205252-((2-ETHYLSULFANYL-BENZOTHIAZOL-6-YLAMINO)-METHYL)-ISOINDOLE-1,3-DIONE
Database identifiers
- CAS
883791-31-9- PubChem CID
- 5072224
- EC Number
- 149-973-4
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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