Basic information
- Standard SMILES
Cc1cc2c(s1)CN(C)CCC2Oc1ccc(Cl)c(Cl)c1.Cl- InChIKey
QLKIFOBMQAOOGO-UHFFFAOYSA-N- Molecular formula
- C16H18Cl3NOS
- Average molar mass
- 378.7 g/mol
- Monoisotopic mass
- 377.017468
Names & identifiers
- Preferred name
- 4-(3,4-Dichlorophenyloxy)-2,7-dimethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine hydrochloride
- IUPAC
- 4-(3,4-dichlorophenoxy)-2,7-dimethyl-4,5,6,8-tetrahydrothieno[2,3-c]azepine;hydrochloride
Names & synonyms
SCHEMBL2842454QLKIFOBMQAOOGO-UHFFFAOYSA-N4-(3,4-Dichlorophenyloxy)-2,7-dimethyl-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine hydrochloride
Database identifiers
- PubChem CID
- 68412476
Properties
Computed structural properties
- Topological polar surface area
- 40.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 359
Related reactions
1 records
Compound notes
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