Basic information
- CAS
103693-30-7- Standard SMILES
COc1cc2c(cc1OC)SCC(=O)NC2- InChIKey
FHKPLXNWFILGPJ-UHFFFAOYSA-N- Molecular formula
- C11H13NO3S
- Average molar mass
- 239.29 g/mol
- Monoisotopic mass
- 239.06161445
Names & identifiers
- Preferred name
- 7,8-Dimethoxy-4,5-dihydro-1,4-benzothiazepin-3(2H)-one
- IUPAC
- 7,8-dimethoxy-4,5-dihydro-1,4-benzothiazepin-3-one
Names & synonyms
103693-30-77,8-Dimethoxy-4,5-dihydro-1,4-benzothiazepin-3(2H)-oneDTXSID00545325RefChem:309958DTXCID90496110
Database identifiers
- CAS
103693-30-7- PubChem CID
- 13626795
- DTXSID
DTXSID00545325
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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